UCSF

ZINC36932534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 3.46 6.1 -3.55 1 3 0 24 290.451 5
Mid Mid (pH 6-8) 3.46 7.06 -38.94 2 3 1 29 291.459 5
Lo Low (pH 4.5-6) 3.46 8.47 -33.51 2 3 1 26 291.459 5
Lo Low (pH 4.5-6) 3.46 8.96 -118.08 3 3 2 30 292.467 5

Activity (Go SEA)

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