UCSF

ZINC34682478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.26 9.88 -50.69 1 5 1 43 369.485 6
Hi High (pH 8-9.5) 3.26 8.24 -9.83 0 5 0 42 368.477 6

Activity (Go SEA)

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