UCSF

ZINC21959392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 0.68 4.21 -52.42 2 4 1 40 212.317 0
Mid Mid (pH 6-8) 0.68 2.83 -9.2 1 4 0 36 211.309 0

Activity (Go SEA)

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