UCSF

ZINC33933178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 3.06 9.36 -55.45 2 7 1 66 463.602 5
Hi High (pH 8-9.5) 3.06 7.25 -14.22 1 7 0 65 462.594 5

Activity (Go SEA)

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