UCSF

ZINC21804260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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 2.8 -18.54 3 5 0 85 321.427 6
Hi High (pH 8-9.5) 0.93 2.38 -43.04 2 5 -1 87 320.419 6
Lo Low (pH 4.5-6) 0.93 3.24 -51.43 4 5 1 86 322.435 6

Activity (Go SEA)

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