UCSF

ZINC20140812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 0.98 5.41 -47.97 2 3 1 42 214.292 4
Hi High (pH 8-9.5) 0.98 4.16 -7.72 1 3 0 38 213.284 4

Activity (Go SEA)

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