UCSF

ZINC01777758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 1.59 4.94 -28.97 3 5 1 73 261.301 6
Mid Mid (pH 6-8) 1.59 4.51 -7.79 2 5 0 71 260.293 6

Activity (Go SEA)

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