UCSF

ZINC46721374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 25 No

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) 3.25 9.49 -47.05 2 7 1 89 344.391 7
Hi High (pH 8-9.5) 3.25 6.96 -16.78 1 7 0 87 343.383 7

Activity (Go SEA)

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