UCSF

ZINC04551742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 16 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) 3.64 9.85 -33.71 1 1 1 4 216.348 1
Mid Mid (pH 6-8) 3.64 7.63 -2.15 0 1 0 3 215.34 1

Activity (Go SEA)

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