UCSF

ZINC03218447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 3.96 9.91 -13.2 1 6 0 88 339.376 4
Hi High (pH 8-9.5) 4.03 9 -40.08 0 6 -1 94 338.368 4

Activity (Go SEA)

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