UCSF

ZINC31873835

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 1.08 4.67 -9.22 1 5 0 79 258.306 2
Hi High (pH 8-9.5) 1.15 3.47 -40.28 0 5 -1 85 257.298 2

Activity (Go SEA)

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