UCSF

ZINC49512295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 27 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) 0.93 5.39 -53.76 3 7 1 79 372.424 6
Hi High (pH 8-9.5) 1.12 2.3 -47.88 1 7 -1 84 370.408 6
Mid Mid (pH 6-8) 0.93 3.16 -9.76 2 7 0 78 371.416 6

Activity (Go SEA)

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