UCSF

ZINC36671253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 Yes

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) -1.32 0.16 -45.68 4 5 1 86 175.208 7
Mid Mid (pH 6-8) -1.32 -1.18 -9.82 3 5 0 81 174.2 7

Activity (Go SEA)

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