UCSF

ZINC43908880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.90 6.71 -109.55 3 4 2 40 270.417 3
Hi High (pH 8-9.5) 1.90 3.82 -2.31 1 4 0 34 268.401 3
Hi High (pH 8-9.5) 1.90 4.53 -32.86 2 4 1 38 269.409 3
Hi High (pH 8-9.5) 1.90 5.93 -32.89 2 4 1 35 269.409 3

Activity (Go SEA)

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