UCSF

ZINC29402411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 1.67 7.75 -13.46 1 4 0 47 243.31 4
Mid Mid (pH 6-8) 1.67 8.23 -43.03 2 4 1 48 244.318 4

Activity (Go SEA)

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