UCSF

ZINC13118895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 0.30 4.61 -53.29 3 8 0 108 363.414 8
Hi High (pH 8-9.5) 0.30 2.52 -49.5 2 8 -1 107 362.406 8
Hi High (pH 8-9.5) 0.37 2.81 -102.74 2 8 -1 114 362.406 8
Mid Mid (pH 6-8) 1.15 0.68 -15.18 3 8 0 108 363.414 8

Activity (Go SEA)

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