UCSF

ZINC08965147

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 24 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) 2.62 -0.72 -11.47 1 5 0 60 319.364 4
Lo Low (pH 4.5-6) 2.62 -0.6 -43.58 2 5 1 61 320.372 4

Activity (Go SEA)

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