UCSF

ZINC20899335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 2.79 7.28 -18.05 2 7 0 93 423.494 3
Hi High (pH 8-9.5) 3.14 7.25 -46.25 2 7 -1 99 422.486 4

Activity (Go SEA)

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