UCSF

ZINC40534154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 19 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) 2.36 6.73 -49.22 2 3 1 34 275.294 7
Mid Mid (pH 6-8) 2.42 1.86 -7.81 1 3 0 36 274.286 7
Mid Mid (pH 6-8) 2.36 4.55 -9.92 1 3 0 32 274.286 7
Lo Low (pH 4.5-6) 2.42 5.42 -97.95 3 3 2 39 276.302 7

Activity (Go SEA)

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