UCSF

ZINC01234238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 26 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) 3.52 5.84 -16.82 2 7 0 93 418.247 5
Hi High (pH 8-9.5) 3.98 3.81 -63.25 1 7 -1 96 417.239 5
Hi High (pH 8-9.5) 3.98 4.09 -47.36 1 7 -1 96 417.239 5

Activity (Go SEA)

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