UCSF

ZINC45255691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 29 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) 5.64 14.12 -36.3 1 3 1 13 429.415 5
Mid Mid (pH 6-8) 5.64 14.01 -38.18 1 3 1 13 429.415 5
Mid Mid (pH 6-8) 5.64 11.74 -3.49 0 3 0 11 428.407 5

Activity (Go SEA)

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