UCSF

ZINC36754943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 0.58 3.18 -50.01 3 3 1 44 198.315 1
Mid Mid (pH 6-8) 0.58 3.58 -87.79 4 3 2 45 199.323 1

Activity (Go SEA)

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