UCSF

ZINC09007929

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 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) 4.52 -1.85 -15.81 3 7 0 95 449.532 6
Lo Low (pH 4.5-6) 4.52 -1.74 -42.54 4 7 1 96 450.54 6

Activity (Go SEA)

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