UCSF

ZINC04981997

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 27 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) 3.98 -1.22 -18.57 2 6 0 70 373.497 4

Activity (Go SEA)

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