UCSF

ZINC04637492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 15 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) 2.17 4.51 -47.68 1 3 -1 56 200.217 2
Mid Mid (pH 6-8) 1.43 -0.07 -31.2 1 3 0 50 201.225 3

Activity (Go SEA)

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