UCSF

ZINC19789205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 17 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) 2.75 7.55 -31.12 1 2 1 8 233.379 3
Hi High (pH 8-9.5) 2.75 5.3 -2.13 0 2 0 6 232.371 3
Mid Mid (pH 6-8) 2.75 7.68 -34.21 1 2 1 8 233.379 3

Activity (Go SEA)

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