UCSF

ZINC41420317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 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) 2.93 8.14 -38.58 2 4 1 46 395.346 5
Hi High (pH 8-9.5) 2.93 5.91 -7.7 1 4 0 45 394.338 5

Activity (Go SEA)

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