UCSF

ZINC34584854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 1.75 3.62 -6.25 3 3 0 59 267.126 3
Lo Low (pH 4.5-6) 1.75 3.95 -41.52 4 3 1 61 268.134 3

Activity (Go SEA)

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