UCSF

ZINC35651629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) -0.86 1.49 -51.12 0 8 -1 99 301.348 5
Mid Mid (pH 6-8) -0.86 3.71 -76.76 1 8 0 100 302.356 5

Activity (Go SEA)

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