UCSF

ZINC37024532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.61 4.37 -48.95 3 5 1 66 294.4 3
Mid Mid (pH 6-8) 0.61 2.99 -17.02 2 5 0 61 293.392 3

Activity (Go SEA)

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