UCSF

ZINC36938016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 2.49 5.96 -28.82 3 4 1 58 228.275 1
Mid Mid (pH 6-8) 2.49 5.82 -10.9 2 4 0 57 227.267 1

Activity (Go SEA)

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