UCSF

ZINC34685564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 39 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) 5.43 13.31 -12.47 0 6 0 55 526.608 7
Mid Mid (pH 6-8) 5.43 15.18 -43.57 1 6 1 56 527.616 7

Activity (Go SEA)

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