UCSF

ZINC27657630

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 23 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) 3.89 7.21 -5.97 1 3 0 33 309.409 2
Lo Low (pH 4.5-6) 3.89 9.53 -39.37 2 3 1 34 310.417 2

Activity (Go SEA)

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