UCSF

ZINC34686172

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 1.43 6.83 -15.61 0 8 0 72 485.556 8
Mid Mid (pH 6-8) 1.43 9.1 -50.21 1 8 1 73 486.564 8

Activity (Go SEA)

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