UCSF

ZINC20510797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 0.49 3.15 -49.32 3 4 1 55 238.307 4
Hi High (pH 8-9.5) 0.49 2.86 -4.74 2 4 0 54 237.299 4

Activity (Go SEA)

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