UCSF

ZINC36988401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.44 1.72 -52.01 3 5 1 59 265.333 3
Hi High (pH 8-9.5) -0.44 1.3 -6.38 2 5 0 57 264.325 3
Lo Low (pH 4.5-6) -0.44 3.68 -143.05 4 5 2 60 266.341 3

Activity (Go SEA)

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