UCSF

ZINC70513471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.80 3.84 -42.39 3 4 1 49 279.404 5
Hi High (pH 8-9.5) 1.80 2.78 -4.14 2 4 0 45 278.396 5
Lo Low (pH 4.5-6) 1.80 4.5 -115.57 4 4 2 51 280.412 5
Lo Low (pH 4.5-6) 1.80 3.44 -34.13 3 4 1 46 279.404 5

Activity (Go SEA)

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