UCSF

ZINC20245403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 2.33 3.89 -55.11 1 6 -1 102 285.326 3
Mid Mid (pH 6-8) 1.40 3.49 -114.59 0 6 -2 101 284.318 4

Activity (Go SEA)

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