UCSF

ZINC35430343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 22 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) 2.62 7.49 -11.93 1 5 0 63 317.414 2
Lo Low (pH 4.5-6) 2.62 7.98 -37.6 2 5 1 65 318.422 2

Activity (Go SEA)

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