UCSF

ZINC70407777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2011 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) 2.07 6.43 -99.43 4 3 2 45 235.375 2
Hi High (pH 8-9.5) 2.07 6.03 -23.44 3 3 1 43 234.367 2
Mid Mid (pH 6-8) 2.07 5.97 -47.95 3 3 1 44 234.367 2

Activity (Go SEA)

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