UCSF

ZINC03171978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 20 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) 2.56 3.06 -47.75 2 5 -1 85 273.312 6
Lo Low (pH 4.5-6) 2.56 2.26 -10.82 3 5 0 82 274.32 6

Activity (Go SEA)

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