UCSF

ZINC27673602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 23 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) 2.97 6.14 -7.33 1 4 0 42 316.445 5
Lo Low (pH 4.5-6) 2.97 8.46 -46.02 2 4 1 43 317.453 5
Lo Low (pH 4.5-6) 3.15 5.6 -37.17 2 4 1 46 317.453 5

Activity (Go SEA)

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