UCSF

ZINC39751224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 3.19 1.98 -20.01 2 9 0 116 382.376 7
Hi High (pH 8-9.5) 3.25 -0.16 -55.63 1 9 -1 122 381.368 7

Activity (Go SEA)

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