UCSF

ZINC04210512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 30 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) 1.68 3.11 -16.07 3 9 0 120 475.299 5
Hi High (pH 8-9.5) 1.68 3.88 -56.95 2 9 -1 123 474.291 5

Activity (Go SEA)

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