UCSF

ZINC44442983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.17 8.6 -11.21 1 3 0 42 282.387 3
Lo Low (pH 4.5-6) 4.17 8.98 -33.53 2 3 1 43 283.395 3

Activity (Go SEA)

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