UCSF

ZINC26188367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 No

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) -0.26 0.37 -30.35 5 12 0 171 419.442 7
Mid Mid (pH 6-8) -0.26 0.58 -58.08 6 12 1 172 420.45 7

Activity (Go SEA)

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