UCSF

ZINC36941073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 1.53 6.03 -31.73 2 5 1 47 272.376 3
Lo Low (pH 4.5-6) 1.53 6.55 -77.57 3 5 2 48 273.384 3

Activity (Go SEA)

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