UCSF

ZINC37788730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.28 9.05 -60.25 1 4 -1 69 306.407 5
Lo Low (pH 4.5-6) 3.28 7.67 -11.8 2 4 0 66 307.415 5

Activity (Go SEA)

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