UCSF

ZINC37079764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.04 5.47 -117.92 4 3 2 41 272.339 7
Hi High (pH 8-9.5) 2.04 5.91 -30.41 3 3 1 40 271.331 7
Mid Mid (pH 6-8) 2.04 3.58 -42.84 3 3 1 40 271.331 7

Activity (Go SEA)

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