UCSF

ZINC20052094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 1.17 5.87 -99.19 3 3 2 30 216.369 8
Mid Mid (pH 6-8) 1.17 3.56 -37.42 2 3 1 29 215.361 8
Mid Mid (pH 6-8) 1.17 4.4 -32.96 2 3 1 26 215.361 8

Activity (Go SEA)

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