UCSF

ZINC70226164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2011 13 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) 0.70 5.85 -43.76 1 3 1 25 183.275 2
Mid Mid (pH 6-8) 0.70 3.5 -7.57 0 3 0 24 182.267 2

Activity (Go SEA)

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