UCSF

ZINC09295621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 27 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) 3.95 -2.48 -13.17 3 5 0 85 373.437 4
Lo Low (pH 4.5-6) 3.95 -2.4 -42.51 4 5 1 86 374.445 4

Activity (Go SEA)

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