UCSF

ZINC20906426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 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) 2.03 5.68 -38.4 1 5 1 56 259.333 3
Hi High (pH 8-9.5) 2.03 3.45 -5.74 0 5 0 55 258.325 3
Lo Low (pH 4.5-6) 2.03 6.11 -83.45 2 5 2 57 260.341 3

Activity (Go SEA)

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