UCSF

ZINC36749047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.44 2.57 -6.34 3 4 0 56 182.271 4
Mid Mid (pH 6-8) 1.44 2.69 -24.58 4 4 1 57 183.279 4

Activity (Go SEA)

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