UCSF

ZINC34536500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 0.66 6.37 -63.18 4 7 1 109 418.473 1
Mid Mid (pH 6-8) 0.66 6.23 -12.32 3 7 0 107 417.465 1
Mid Mid (pH 6-8) 0.66 6.63 -36.69 4 7 1 109 418.473 1

Activity (Go SEA)

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