UCSF

ZINC32137694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 12 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) 2.42 4.6 -4.02 1 1 0 12 179.288 1
Mid Mid (pH 6-8) 2.42 5.96 -39.24 2 1 1 17 180.296 1

Activity (Go SEA)

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