UCSF

ZINC35773400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 0.97 1.59 -8.91 3 5 0 67 260.341 3
Mid Mid (pH 6-8) 0.97 3.78 -40.62 4 5 1 68 261.349 3
Lo Low (pH 4.5-6) 0.97 2.01 -30.19 4 5 1 68 261.349 3
Lo Low (pH 4.5-6) 0.97 4.21 -99.84 5 5 2 70 262.357 3

Activity (Go SEA)

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