UCSF

ZINC36835996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) -1.34 2.8 -75.69 2 8 -1 128 292.271 5
Mid Mid (pH 6-8) -0.88 0.73 -132.33 1 8 -2 131 291.263 5

Activity (Go SEA)

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