UCSF

ZINC41055207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 22 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) 4.71 9.1 -33.41 2 4 1 52 293.346 4
Hi High (pH 8-9.5) 4.71 8.74 -9.98 1 4 0 51 292.338 4

Activity (Go SEA)

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