UCSF

ZINC00904270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 4.96 -2.76 -8.7 2 5 0 58 416.319 4
Mid Mid (pH 6-8) 4.96 -2.59 -30.59 3 5 1 60 417.327 4

Activity (Go SEA)

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