UCSF

ZINC23625284

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 22 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) 2.63 7.35 -22.7 2 5 0 71 312.398 2
Mid Mid (pH 6-8) 2.70 6.47 -55.6 1 5 -1 77 311.39 2

Activity (Go SEA)

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