UCSF

ZINC00417143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.37 9.95 -9.86 1 4 0 42 294.402 5
Mid Mid (pH 6-8) 3.37 10.2 -25.45 2 4 1 43 295.41 5

Activity (Go SEA)

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