UCSF

ZINC37029109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.00 5.19 -46.96 4 3 1 57 279.722 3
Mid Mid (pH 6-8) 1.00 4.85 -5.8 3 3 0 55 278.714 3

Activity (Go SEA)

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