UCSF

ZINC02785948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 No

Popular Name: (4S)-2-amino-4-(4-chlorophenyl)-8-(diethylamino)-5-keto-4H-pyrano[3,2-c]chromene-3-carbonitrile (4S)-2-amino-4-(4-chlorophenyl)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.23 10.54 -15.42 2 6 0 92 421.884 4 ↓
Mid Mid (pH 6-8) 0.64 9.61 -35.4 3 6 1 95 422.892 3 ↓
Lo Low (pH 4.5-6) 0.64 9.94 -111.98 4 6 2 97 423.9 3 ↓
Lo Low (pH 4.5-6) 4.23 10.87 -64.29 3 6 1 94 422.892 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )