UCSF

ZINC20232214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 39 No

Download: MOL2 SDF SMILES Flexibase

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) 4.20 11.49 -75.99 2 8 0 104 530.621 11
Hi High (pH 8-9.5) 4.20 8.95 -62.04 1 8 -1 102 529.613 11

Activity (Go SEA)

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