UCSF

ZINC19536731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 3.29 7.29 -37.2 1 2 1 8 274.215 3
Mid Mid (pH 6-8) 3.29 7.3 -41.54 1 2 1 8 274.215 3
Mid Mid (pH 6-8) 3.29 4.91 -2.82 0 2 0 6 273.207 3

Activity (Go SEA)

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