UCSF

ZINC36646449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) -0.37 1 -114.3 6 8 2 123 341.437 8
Hi High (pH 8-9.5) -0.37 -0.34 -46.45 5 8 1 119 340.429 8

Activity (Go SEA)

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