UCSF

ZINC52895493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 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) 2.71 7.97 -35.56 1 2 1 17 233.36 4
Mid Mid (pH 6-8) 2.71 5.7 -5.17 0 2 0 16 232.352 4

Activity (Go SEA)

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