UCSF

ZINC37113402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.71 3.42 -35.96 2 2 1 20 159.297 6
Hi High (pH 8-9.5) 1.71 1.97 -0.73 1 2 0 15 158.289 6
Mid Mid (pH 6-8) 1.71 3.67 -28.17 2 2 1 16 159.297 6
Mid Mid (pH 6-8) 1.71 5.11 -102.51 3 2 2 21 160.305 6

Activity (Go SEA)

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