UCSF

ZINC25537873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 26 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) 2.52 5.76 -12.2 1 5 0 55 360.429 5
Lo Low (pH 4.5-6) 2.52 7.96 -53.27 2 5 1 56 361.437 5

Activity (Go SEA)

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