UCSF

ZINC37211938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 4.99 9.6 -3.8 1 1 0 12 319.52 7
Lo Low (pH 4.5-6) 4.99 10.74 -35.93 2 1 1 17 320.528 7

Activity (Go SEA)

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