UCSF

ZINC01291014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 34 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) 6.32 11.13 -18.66 2 6 0 84 491.638 7
Hi High (pH 8-9.5) 6.77 9.89 -50.49 1 6 -1 87 490.63 7

Activity (Go SEA)

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