UCSF

ZINC35680634

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) -0.93 5.95 -32.5 1 6 0 68 283.372 4
Mid Mid (pH 6-8) -0.93 5.96 -55.71 1 6 0 68 283.372 4
Mid Mid (pH 6-8) -0.93 3.75 -48.79 0 6 -1 67 282.364 4

Activity (Go SEA)

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