UCSF

ZINC37114725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.77 6.96 -45.1 3 2 1 31 221.368 7
Lo Low (pH 4.5-6) 2.77 7.04 -111.71 4 2 0 32 222.376 7

Activity (Go SEA)

Rings

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