UCSF

ZINC44591357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.35 7.03 -10.44 0 3 0 30 315.417 4
Lo Low (pH 4.5-6) 3.35 9.28 -46.21 1 3 1 31 316.425 4

Activity (Go SEA)

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