UCSF

ZINC37145606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 13 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) 2.30 6.96 -34.63 1 2 1 28 179.287 1
Hi High (pH 8-9.5) 2.30 4.91 -5.53 0 2 0 27 178.279 1

Activity (Go SEA)

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