UCSF

ZINC37039499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.26 6.17 -159.12 5 4 3 49 251.398 5
Hi High (pH 8-9.5) 0.26 4.36 -79.02 4 4 2 48 250.39 5

Activity (Go SEA)

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