UCSF

ZINC22562960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 13 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) -0.01 2.14 -97.82 4 3 2 35 185.315 1
Mid Mid (pH 6-8) -0.01 1.9 -113.43 4 3 2 35 185.315 1
Mid Mid (pH 6-8) -0.01 -0.33 -45.06 3 3 1 34 184.307 1

Activity (Go SEA)

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