UCSF

ZINC69843106

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 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) 1.94 5.1 -33.64 2 5 1 46 312.478 7
Mid Mid (pH 6-8) 1.94 2.77 -7.95 1 5 0 45 311.47 7

Activity (Go SEA)

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