UCSF

ZINC37012012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.12 3.19 -50.11 4 5 1 73 235.311 3
Hi High (pH 8-9.5) -0.12 2.95 -10.95 3 5 0 71 234.303 3
Mid Mid (pH 6-8) -0.12 3.38 -87.7 5 5 2 74 236.319 3

Activity (Go SEA)

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