UCSF

ZINC36746600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.25 0.37 -57.8 4 6 1 92 300.404 7
Hi High (pH 8-9.5) 0.25 -0.8 -15.65 3 6 0 87 299.396 7

Activity (Go SEA)

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