UCSF

ZINC36196303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 2.95 1.58 -9.34 3 5 0 84 300.424 7
Hi High (pH 8-9.5) 2.95 2.35 -42.79 2 5 -1 86 299.416 7

Activity (Go SEA)

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