UCSF

ZINC08618138

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 29 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) 3.96 4.82 -106 0 8 -2 123 474.347 6
Mid Mid (pH 6-8) 3.96 4.8 -51.83 1 8 -1 120 475.355 6
Lo Low (pH 4.5-6) 3.96 4.81 -16.37 2 8 0 118 476.363 6
Lo Low (pH 4.5-6) 3.96 4.84 -48.11 1 8 -1 120 475.355 6

Activity (Go SEA)

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