UCSF

ZINC01139845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 5.10 -7.8 -13.31 2 6 0 92 495.42 6
Hi High (pH 8-9.5) 5.10 -7.23 -40.1 1 6 -1 94 494.412 6
Hi High (pH 8-9.5) 5.10 -6.76 -91.35 0 6 -2 96 493.404 6
Hi High (pH 8-9.5) 5.10 -7.34 -43.6 1 6 -1 94 494.412 6

Activity (Go SEA)

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