UCSF

ZINC13453585

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 29 Yes

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) 3.46 5.72 -64.12 1 8 -1 114 422.479 9
Hi High (pH 8-9.5) 3.46 5.81 -138.71 0 8 -2 116 421.471 9

Activity (Go SEA)

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