UCSF

ZINC58491575

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 25 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) 3.01 9.93 -39.48 2 5 1 48 344.479 7
Hi High (pH 8-9.5) 3.01 7.39 -10.23 1 5 0 47 343.471 7

Activity (Go SEA)

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