UCSF

ZINC11996555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 28 No

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) 4.58 9.76 -12.84 0 5 0 76 457.349 4
Mid Mid (pH 6-8) 4.58 9.82 -38.41 1 5 1 78 458.357 4

Activity (Go SEA)

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