UCSF

ZINC39642342

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 13 Yes

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) 0.84 4.18 -8.04 1 3 0 38 174.203 2
Lo Low (pH 4.5-6) 0.84 4.65 -31.43 2 3 1 39 175.211 2

Activity (Go SEA)

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