UCSF

ZINC20596075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 2.52 6.89 -118.64 4 3 2 35 291.483 8
Hi High (pH 8-9.5) 2.52 6.56 -33.07 3 3 1 34 290.475 8
Mid Mid (pH 6-8) 2.52 6.08 -122.19 4 3 2 35 291.483 8
Mid Mid (pH 6-8) 2.52 5.76 -31.93 3 3 1 34 290.475 8
Mid Mid (pH 6-8) 2.52 4.49 -1.48 2 3 0 32 289.467 8

Activity (Go SEA)

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