UCSF

ZINC44110032

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) 1.93 4.03 -44.29 2 5 1 54 280.344 5
Hi High (pH 8-9.5) 1.93 2.93 -6.21 1 5 0 49 279.336 5

Activity (Go SEA)

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