UCSF

ZINC42863245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.79 7.29 -42.81 3 3 1 46 267.437 5
Hi High (pH 8-9.5) 3.79 5.96 -6.72 2 3 0 41 266.429 5

Activity (Go SEA)

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