UCSF

ZINC01291018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 6.33 11.66 -18.55 2 5 0 75 461.612 5
Hi High (pH 8-9.5) 6.79 10.42 -49.26 1 5 -1 78 460.604 5

Activity (Go SEA)

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