UCSF

ZINC52295883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 0.90 1.33 -48.18 3 4 1 63 221.346 6
Hi High (pH 8-9.5) 0.90 0.13 -8.98 2 4 0 58 220.338 6

Activity (Go SEA)

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