UCSF

ZINC34686197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 1.82 8.22 -14.36 0 7 0 62 469.557 7
Mid Mid (pH 6-8) 1.82 10.49 -46.81 1 7 1 64 470.565 7

Activity (Go SEA)

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