UCSF

ZINC31808160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 18 Yes

Other Names:

MFCD10476923

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) 0.55 4.35 -62.12 0 5 -1 64 253.322 3
Mid Mid (pH 6-8) 0.55 6.73 -84.99 1 5 0 65 254.33 3
Lo Low (pH 4.5-6) 0.55 5.61 -53.85 2 5 1 62 255.338 3

Activity (Go SEA)

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