UCSF

ZINC37080358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.64 3.83 -45.95 3 3 1 44 178.259 3
Hi High (pH 8-9.5) 0.64 3.5 -4.92 2 3 0 42 177.251 3
Mid Mid (pH 6-8) 0.64 4.31 -97.44 4 3 2 45 179.267 3

Activity (Go SEA)

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