UCSF

ZINC06787323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 4.66 0.07 -41.56 3 3 1 45 345.466 6
Mid Mid (pH 6-8) 5.20 13.56 -36.07 1 3 1 19 361.509 5
Mid Mid (pH 6-8) 5.20 12.46 -5.9 0 3 0 17 360.501 5

Activity (Go SEA)

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