UCSF

ZINC34551611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 0.66 1.93 -17.95 1 4 0 70 210.258 4
Hi High (pH 8-9.5) 0.66 1.56 -39.55 0 4 -1 72 209.25 4

Activity (Go SEA)

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