UCSF

ZINC49754181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 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) 0.12 2.87 -99.44 3 3 2 29 162.277 6
Hi High (pH 8-9.5) 0.12 0.4 -30.03 2 3 1 28 161.269 6
Mid Mid (pH 6-8) 0.12 0.63 -34.96 2 3 1 28 161.269 6

Activity (Go SEA)

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