UCSF

ZINC34685652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 38 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) 5.44 13.84 -20.39 0 6 0 53 521.677 9
Mid Mid (pH 6-8) 5.44 16.07 -59.41 1 6 1 54 522.685 9

Activity (Go SEA)

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