UCSF

ZINC34829983

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.87 10.22 -12.97 0 6 0 61 495.67 5
Mid Mid (pH 6-8) 3.87 11.94 -44.43 1 6 1 62 496.678 5

Activity (Go SEA)

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