UCSF

ZINC36285596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 1.32 5.51 -13.38 1 5 0 53 295.427 5
Mid Mid (pH 6-8) 1.32 6.81 -53.97 2 5 1 57 296.435 5

Activity (Go SEA)

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