UCSF

ZINC34617855

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 2.11 5.8 -43.18 2 2 1 20 207.272 2
Hi High (pH 8-9.5) 2.11 4.48 -2.95 1 2 0 15 206.264 2

Activity (Go SEA)

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