UCSF

ZINC36285726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -2.54 3.37 -21.73 1 8 0 83 266.305 4
Mid Mid (pH 6-8) -2.54 4.66 -62.53 2 8 1 88 267.313 4

Activity (Go SEA)

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