UCSF

ZINC35206304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) 1.69 7.63 -37.98 2 4 1 42 221.328 2
Lo Low (pH 4.5-6) 1.69 7.95 -83.76 3 4 2 43 222.336 2

Activity (Go SEA)

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