UCSF

ZINC52036921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 24 No

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) 3.70 7.83 -52.95 3 7 1 91 335.428 7
Mid Mid (pH 6-8) 3.70 5.64 -12.61 2 7 0 90 334.42 7

Activity (Go SEA)

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