UCSF

ZINC00101076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

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) 3.96 3.61 -7.03 2 3 0 53 282.126 2
Mid Mid (pH 6-8) 3.96 4.39 -41.58 1 3 -1 56 281.118 2
Mid Mid (pH 6-8) 3.96 3.18 -33.16 1 3 -1 56 281.118 2
Lo Low (pH 4.5-6) 3.96 2.85 -39.39 3 3 1 54 283.134 2
Lo Low (pH 4.5-6) 3.96 4.27 -34.56 3 3 1 54 283.134 2

Activity (Go SEA)

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