UCSF

ZINC16897737

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 32 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) 7.12 11.6 -17.99 2 5 0 75 504.464 6
Hi High (pH 8-9.5) 7.58 10.28 -50.24 1 5 -1 78 503.456 6

Activity (Go SEA)

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