UCSF

ZINC32916935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 19 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) 1.29 3.82 -63.39 0 6 -1 78 258.257 2
Mid Mid (pH 6-8) 1.29 4.25 -33.51 1 6 0 80 259.265 2

Activity (Go SEA)

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