UCSF

ZINC08969950

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 24 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) -0.22 1.78 -48.98 2 8 -1 113 335.336 7
Mid Mid (pH 6-8) 0.63 0.02 -15.81 3 8 0 114 336.344 7

Activity (Go SEA)

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