UCSF

ZINC39299077

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 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) 0.95 1.36 -44.51 4 4 1 69 193.226 3
Hi High (pH 8-9.5) 0.95 -0.34 -10.98 3 4 0 64 192.218 3

Activity (Go SEA)

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