UCSF

ZINC43251828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 3.04 3.91 -40.48 3 2 1 31 261.842 5
Mid Mid (pH 6-8) 3.04 5.63 -33.42 3 2 1 30 261.842 5
Mid Mid (pH 6-8) 3.04 5.94 -109.67 4 2 2 32 262.85 5

Activity (Go SEA)

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