UCSF

ZINC33976110

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 18 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) 0.15 0.29 -8.35 3 6 0 68 253.35 5
Mid Mid (pH 6-8) 0.15 0.41 -28.01 4 6 1 70 254.358 5
Mid Mid (pH 6-8) 0.15 2.56 -46.49 4 6 1 70 254.358 5
Mid Mid (pH 6-8) 0.15 2.68 -84.37 5 6 2 71 255.366 5

Activity (Go SEA)

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