UCSF

ZINC33722615

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) 3.52 6.25 -49.86 0 6 -1 84 428.262 5
Mid Mid (pH 6-8) 3.06 8.68 -12.21 1 6 0 81 429.27 5

Activity (Go SEA)

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