UCSF

ZINC27564107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 25 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) 0.07 7.4 -98.26 2 7 0 95 344.346 3
Lo Low (pH 4.5-6) -3.52 6.45 -75.43 3 7 1 98 345.354 2

Activity (Go SEA)

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