UCSF

ZINC19995229

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) 1.65 5.5 -25.94 1 8 0 103 376.467 4
Hi High (pH 8-9.5) 1.84 4.44 -54.54 0 8 -1 109 375.459 4

Activity (Go SEA)

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