UCSF

ZINC37081057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.69 6.86 -34.38 3 2 1 30 259.295 5
Lo Low (pH 4.5-6) 0.69 7.26 -131.67 4 2 2 32 260.303 5

Activity (Go SEA)

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