UCSF

ZINC34684309

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.31 8.41 -51.83 2 7 1 68 420.489 6
Mid Mid (pH 6-8) 3.31 8.39 -52.1 2 7 1 68 420.489 6
Mid Mid (pH 6-8) 3.31 6.14 -11.52 1 7 0 67 419.481 6

Activity (Go SEA)

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