UCSF

ZINC36791119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 3.57 9.97 -40.84 1 4 0 58 275.348 6
Hi High (pH 8-9.5) 3.57 8.11 -50.8 0 4 -1 57 274.34 6

Activity (Go SEA)

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