UCSF

ZINC49393188

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.73 2.93 -12.71 1 5 0 64 299.421 4
Lo Low (pH 4.5-6) 1.73 3.06 -36.53 2 5 1 65 300.429 4

Activity (Go SEA)

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