UCSF

ZINC21817888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.45 3.6 -56.47 1 7 -1 104 308.339 4
Mid Mid (pH 6-8) 1.45 3.71 -70.66 2 7 0 105 309.347 4
Mid Mid (pH 6-8) 1.45 3.65 -106.54 0 7 -2 106 307.331 4

Activity (Go SEA)

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