UCSF

ZINC37826996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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 3.2 -7.82 2 4 0 50 259.353 3
Mid Mid (pH 6-8) -0.96 3.53 -43.3 3 4 1 51 260.361 3
Mid Mid (pH 6-8) -0.96 5.4 -42.53 3 4 1 51 260.361 3
Mid Mid (pH 6-8) -0.96 5.72 -101.47 4 4 2 52 261.369 3

Activity (Go SEA)

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