UCSF

ZINC37862824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 0.87 4.59 -104.24 4 4 2 54 242.363 9
Mid Mid (pH 6-8) 0.87 2.44 -42.03 3 4 1 53 241.355 9

Activity (Go SEA)

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