UCSF

ZINC08739866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 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 3.24 -57.2 0 10 -1 123 499.569 8
Mid Mid (pH 6-8) 0.28 5.57 -75.96 1 10 0 124 500.577 8
Lo Low (pH 4.5-6) 0.72 -5.35 -131.5 3 10 2 122 502.593 7
Lo Low (pH 4.5-6) -0.31 -5.73 -121.92 2 10 2 119 502.593 8

Activity (Go SEA)

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