UCSF

ZINC36287755

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 1.49 1.43 -10.43 2 5 0 71 263.322 4
Hi High (pH 8-9.5) 1.49 1.46 -45.84 1 5 -1 73 262.314 4

Activity (Go SEA)

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