UCSF

ZINC00134387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

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) -0.75 -3.92 -20.01 2 6 0 83 284.319 6
Lo Low (pH 4.5-6) -0.75 -3.86 -48.65 3 6 1 85 285.327 6
Lo Low (pH 4.5-6) -0.75 -3.8 -88.28 4 6 2 86 286.335 6

Activity (Go SEA)

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