UCSF

ZINC70193830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 15 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) -0.55 -0.63 -20.99 2 6 0 88 207.189 1
Mid Mid (pH 6-8) -0.10 -2.77 -51.32 1 6 -1 91 206.181 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.