UCSF

ZINC13597410

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 2.66 0.97 -16.1 4 6 0 111 336.299 1
Hi High (pH 8-9.5) 2.66 0.92 -42.8 3 6 -1 114 335.291 1

Activity (Go SEA)

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