UCSF

ZINC36720579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 0.72 4.31 -52.25 3 5 1 73 231.279 1
Mid Mid (pH 6-8) 0.72 3.02 -9.06 2 5 0 68 230.271 1

Activity (Go SEA)

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