UCSF

ZINC34674317

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 18 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) 1.45 6.1 -13.41 0 4 0 60 243.31 7
Mid Mid (pH 6-8) 1.45 8.5 -54.47 1 4 1 61 244.318 7

Activity (Go SEA)

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