UCSF

ZINC09707535

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 34 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) 2.87 1.01 -77.84 2 10 2 86 472.638 6
Mid Mid (pH 6-8) 2.87 1.3 -161.15 3 10 3 87 473.646 6

Activity (Go SEA)

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