UCSF

ZINC09207114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 30 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) 3.26 6.54 -19.27 2 7 0 88 429.542 7
Lo Low (pH 4.5-6) 3.26 7.17 -46.36 3 7 1 89 430.55 7

Activity (Go SEA)

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