UCSF

ZINC35680166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 0.34 5.17 -48.68 0 5 -1 64 241.311 6
Mid Mid (pH 6-8) 0.34 7.3 -40.26 1 5 0 65 242.319 6

Activity (Go SEA)

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