UCSF

ZINC16082925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 21 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) 2.13 7.3 -8.2 2 3 0 46 386.076 2
Lo Low (pH 4.5-6) 2.13 7.62 -49.77 3 3 1 48 387.084 2
Lo Low (pH 4.5-6) 2.13 7.61 -48 3 3 1 48 387.084 2

Activity (Go SEA)

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