UCSF

ZINC37387010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.29 2.44 -36.2 3 4 1 55 215.317 6
Hi High (pH 8-9.5) 1.29 1.24 -7.04 2 4 0 50 214.309 6

Activity (Go SEA)

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