UCSF

ZINC19995176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 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) 1.56 5.43 -26.17 1 8 0 103 376.467 3
Hi High (pH 8-9.5) 1.74 4.36 -54.28 0 8 -1 109 375.459 3

Activity (Go SEA)

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