UCSF

ZINC04156678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 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) 4.41 -2 -10.08 1 4 0 47 346.496 7
Mid Mid (pH 6-8) 4.41 -1.75 -29.93 2 4 1 48 347.504 7

Activity (Go SEA)

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