UCSF

ZINC20245063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) -1.13 -2.61 -51.18 1 7 -1 99 265.311 7
Mid Mid (pH 6-8) -1.13 -0.61 -85.21 1 7 -1 102 265.311 7
Mid Mid (pH 6-8) -1.13 -0.21 -75.29 2 7 0 100 266.319 7
Mid Mid (pH 6-8) -1.13 -3.01 -99.71 0 7 -2 101 264.303 7

Activity (Go SEA)

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