UCSF

ZINC41731214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.18 5.98 -34.9 2 5 0 75 263.293 6
Hi High (pH 8-9.5) 1.18 4.88 -48.31 1 5 -1 71 262.285 6

Activity (Go SEA)

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