UCSF

ZINC34683975

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 5.23 11.08 -47.22 2 6 1 71 481.638 8
Hi High (pH 8-9.5) 5.23 11.99 -42.06 1 6 0 74 480.63 8

Activity (Go SEA)

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