UCSF

ZINC32502141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.40 8.89 -54.66 1 7 1 66 451.543 6
Hi High (pH 8-9.5) 3.40 5.98 -11.78 0 7 0 64 450.535 6
Mid Mid (pH 6-8) 3.40 8.17 -48.72 1 7 1 66 451.543 6
Lo Low (pH 4.5-6) 3.40 11.23 -128.68 2 7 2 67 452.551 6

Activity (Go SEA)

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