UCSF

ZINC41261648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 2.03 2.93 -12.86 2 5 0 75 234.255 2
Mid Mid (pH 6-8) 2.49 0.29 -48.13 1 5 -1 78 233.247 2

Activity (Go SEA)

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