UCSF

ZINC52074915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 19 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) 3.04 7.08 -38.02 2 3 1 34 271.331 6
Mid Mid (pH 6-8) 3.04 5.26 -8.12 1 3 0 32 270.323 6

Activity (Go SEA)

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