UCSF

ZINC43409034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 1.94 4.55 -14.97 4 5 0 85 306.435 7
Mid Mid (pH 6-8) 1.94 5.05 -29.22 5 5 1 86 307.443 7

Activity (Go SEA)

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