UCSF

ZINC65072614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2011 28 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) 2.68 8.95 -18.97 2 6 0 84 391.452 5
Hi High (pH 8-9.5) 3.98 8.72 -49.21 1 6 -1 87 390.444 5

Activity (Go SEA)

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