UCSF

ZINC37017002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.65 7.28 -47.93 2 5 1 57 283.302 6
Hi High (pH 8-9.5) 1.65 5.98 -15.1 1 5 0 52 282.294 6

Activity (Go SEA)

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