UCSF

ZINC44112099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.04 3.95 -45.5 2 5 1 54 280.344 6
Hi High (pH 8-9.5) 2.04 2.84 -6.71 1 5 0 49 279.336 6

Activity (Go SEA)

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