UCSF

ZINC34464067

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) -0.96 -3.65 -57.73 7 8 1 143 363.438 9
Hi High (pH 8-9.5) -0.96 -4.07 -52.51 6 8 0 142 362.43 9
Mid Mid (pH 6-8) -0.96 -4.84 -64.13 7 8 1 139 363.438 9
Mid Mid (pH 6-8) -0.96 -4.84 -57.41 7 8 1 139 363.438 9

Activity (Go SEA)

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