UCSF

ZINC36770973

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 3.67 -122.1 4 4 2 48 262.401 4
Hi High (pH 8-9.5) 0.03 1.26 -51.18 3 4 1 47 261.393 4
Hi High (pH 8-9.5) 0.03 3.69 -40.51 3 4 1 47 261.393 4
Lo Low (pH 4.5-6) 0.03 4.14 -187.28 5 4 3 49 263.409 4

Activity (Go SEA)

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