UCSF

ZINC45658377

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.71 5.13 -90.69 4 3 2 35 215.385 4
Hi High (pH 8-9.5) 0.71 1.62 -41.95 3 3 1 34 214.377 4
Hi High (pH 8-9.5) 0.71 2.92 -28.19 3 3 1 34 214.377 4
Mid Mid (pH 6-8) 0.71 3.17 -115.03 4 3 2 35 215.385 4
Lo Low (pH 4.5-6) 0.71 5 -214.62 5 3 3 37 216.393 4
Lo Low (pH 4.5-6) 0.71 3.31 -98.41 4 3 2 35 215.385 4

Activity (Go SEA)

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