UCSF

ZINC42678482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 22 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) 0.58 3.6 -16.61 1 6 0 79 319.386 5
Lo Low (pH 4.5-6) 0.58 4.06 -43.27 2 6 1 81 320.394 5

Activity (Go SEA)

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