UCSF

ZINC40004962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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 8.37 -9.01 1 2 0 29 257.308 4

Activity (Go SEA)

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