UCSF

ZINC42825676

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) -0.35 -0.67 -55.92 3 6 1 75 264.371 4
Mid Mid (pH 6-8) -0.35 -1.88 -10.03 2 6 0 71 263.363 4

Activity (Go SEA)

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