UCSF

ZINC05688954

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 0.02 8.65 -80.93 2 6 2 61 262.35 11
Hi High (pH 8-9.5) 0.02 3.56 -6.79 0 6 0 59 260.334 11
Mid Mid (pH 6-8) 0.02 6.09 -38.08 1 6 1 60 261.342 11

Activity (Go SEA)

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