UCSF

ZINC09402760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 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) 7.14 1.82 -22.94 0 5 0 55 485.996 6
Lo Low (pH 4.5-6) 7.14 1.84 -50.08 1 5 1 56 487.004 6

Activity (Go SEA)

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