UCSF

ZINC34681595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.28 7.89 -16.34 2 6 0 69 456.468 6
Mid Mid (pH 6-8) 4.28 10.15 -46.78 3 6 1 70 457.476 6

Activity (Go SEA)

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