UCSF

ZINC36981995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.78 1.9 -49.02 4 5 1 76 288.323 4
Hi High (pH 8-9.5) 2.78 0.76 -8.42 3 5 0 71 287.315 4

Activity (Go SEA)

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