UCSF

ZINC36770974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.03 3.79 -119.95 4 4 2 48 262.401 4
Hi High (pH 8-9.5) 0.03 1.37 -52.47 3 4 1 47 261.393 4
Hi High (pH 8-9.5) 0.03 3.68 -37.69 3 4 1 47 261.393 4
Lo Low (pH 4.5-6) 0.03 4.25 -191.67 5 4 3 49 263.409 4

Activity (Go SEA)

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