UCSF

ZINC43411657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.63 1.45 -37.23 3 5 1 58 260.402 9
Hi High (pH 8-9.5) 0.63 0.06 -8.36 2 5 0 54 259.394 9
Mid Mid (pH 6-8) 0.63 2.55 -31.96 3 5 1 55 260.402 9
Lo Low (pH 4.5-6) 0.63 3.63 -107.15 4 5 2 59 261.41 9

Activity (Go SEA)

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