UCSF

ZINC33701242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 1.84 6.74 -36.03 4 14 1 187 429.421 9
Mid Mid (pH 6-8) 1.84 4.68 -15.41 3 14 0 186 428.413 9

Activity (Go SEA)

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