UCSF

ZINC34553528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.56 15.95 -48.74 2 4 1 37 440.611 7
Mid Mid (pH 6-8) 5.56 13.73 -11.08 1 4 0 36 439.603 7

Activity (Go SEA)

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