UCSF

ZINC37175090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 11 No

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) -0.89 1.57 -47.81 3 3 1 48 175.277 2
Hi High (pH 8-9.5) -0.89 1.18 -8.22 2 3 0 46 174.269 2

Activity (Go SEA)

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