UCSF

ZINC43437472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 3.34 6.77 -108.36 4 2 2 33 216.413 7
Mid Mid (pH 6-8) 3.34 5.56 -30.67 3 2 1 29 215.405 7
Mid Mid (pH 6-8) 3.34 6.32 -35.12 3 2 1 29 215.405 7

Activity (Go SEA)

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