UCSF

ZINC20118660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 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) 3.64 9.66 -42.58 1 4 1 34 339.459 7
Hi High (pH 8-9.5) 3.64 7.19 -8.89 0 4 0 33 338.451 7
Mid Mid (pH 6-8) 3.64 9.52 -46.51 1 4 1 34 339.459 7

Activity (Go SEA)

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