UCSF

ZINC20521609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 2.41 4.93 -46.99 3 2 1 31 273.322 3
Mid Mid (pH 6-8) 2.41 6.42 -34.66 3 2 1 30 273.322 3
Mid Mid (pH 6-8) 2.41 6.73 -112.02 4 2 2 32 274.33 3

Activity (Go SEA)

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