UCSF

ZINC36749020

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) 1.21 2.72 -23.89 4 4 1 57 183.279 3
Mid Mid (pH 6-8) 1.21 2.6 -6.26 3 4 0 56 182.271 3

Activity (Go SEA)

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