UCSF

ZINC04344962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 28 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) 3.39 12.04 -59.62 1 8 -1 113 375.364 4

Activity (Go SEA)

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