UCSF

ZINC37082232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.92 6.12 -40.46 1 2 1 28 155.265 4
Hi High (pH 8-9.5) 1.92 4.61 -3.88 0 2 0 27 154.257 4

Activity (Go SEA)

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