UCSF

ZINC26318611

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 22 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) 4.15 5.46 -40.05 0 5 -1 67 497.128 5
Mid Mid (pH 6-8) 4.15 5.43 -8.71 1 5 0 65 498.136 5

Activity (Go SEA)

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