UCSF

ZINC11840654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 33 Yes

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) 3.31 2.28 -59.47 1 7 1 75 448.543 7
Lo Low (pH 4.5-6) 3.31 2.39 -96.49 2 7 2 76 449.551 7

Activity (Go SEA)

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