UCSF

ZINC37786425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.16 7 -32.93 2 3 1 26 277.432 5
Lo Low (pH 4.5-6) 3.16 8.19 -108.5 3 3 2 30 278.44 5

Activity (Go SEA)

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