UCSF

ZINC20995692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 4.22 7.98 -37.42 2 3 1 28 311.449 5
Mid Mid (pH 6-8) 4.22 8.12 -35.52 2 3 1 28 311.449 5
Mid Mid (pH 6-8) 4.22 5.67 -6.98 1 3 0 27 310.441 5

Activity (Go SEA)

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