UCSF

ZINC36888783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 2.45 7.99 -40.37 3 2 1 30 263.311 4
Hi High (pH 8-9.5) 2.45 5.66 -7.41 2 2 0 29 262.303 4

Activity (Go SEA)

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