UCSF

ZINC37080612

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) 1.43 6.62 -61.33 0 4 -1 60 224.28 3
Lo Low (pH 4.5-6) 1.43 5.23 -10.94 1 4 0 58 225.288 3

Activity (Go SEA)

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