UCSF

ZINC43395831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.41 6.24 -101.89 4 4 2 48 264.417 3
Hi High (pH 8-9.5) 1.41 4.17 -46.55 3 4 1 47 263.409 3
Mid Mid (pH 6-8) 1.41 6.69 -184.65 5 4 3 49 265.425 3

Activity (Go SEA)

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