UCSF

ZINC44568311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 27 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) 2.77 7.82 -20.42 2 9 0 130 391.453 9
Hi High (pH 8-9.5) 2.96 6.17 -44.81 1 9 -1 136 390.445 9

Activity (Go SEA)

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