UCSF

ZINC34791387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 30 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) 0.28 13.21 -104.02 4 6 2 69 430.98 8
Hi High (pH 8-9.5) 0.28 11 -35.02 3 6 1 68 429.972 8

Activity (Go SEA)

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