UCSF

ZINC01806781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 26 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) 5.72 12.72 -8.71 0 4 0 38 347.462 5
Mid Mid (pH 6-8) 5.72 13.06 -24.48 1 4 1 40 348.47 5

Activity (Go SEA)

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