UCSF

ZINC36984805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.17 5.92 -53.9 2 6 1 72 273.353 8
Hi High (pH 8-9.5) 1.17 4.72 -10.1 1 6 0 68 272.345 8

Activity (Go SEA)

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