UCSF

ZINC62972145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.56 6.37 -86.1 3 4 2 41 255.406 4
Hi High (pH 8-9.5) 0.56 3.97 -43.62 2 4 1 40 254.398 4

Activity (Go SEA)

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