UCSF

ZINC15066539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 23 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) 1.88 7.7 -108.4 2 6 2 61 317.437 7
Lo Low (pH 4.5-6) 1.88 8.46 -168.7 3 6 3 62 318.445 7

Activity (Go SEA)

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