UCSF

ZINC33466091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 17 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) 2.93 5.59 -42.94 3 2 1 37 238.326 4
Hi High (pH 8-9.5) 2.93 4.21 -4.14 2 2 0 32 237.318 4

Activity (Go SEA)

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