UCSF

ZINC01112379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 Yes

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) 4.75 -8.42 -13.78 2 6 0 92 457.36 6
Hi High (pH 8-9.5) 4.75 -7.85 -43.41 1 6 -1 94 456.352 6

Activity (Go SEA)

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