UCSF

ZINC00873793

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 16 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) 1.36 5.68 -34.71 3 5 1 64 218.236 1
Hi High (pH 8-9.5) 1.36 5.18 -10.37 2 5 0 62 217.228 1

Activity (Go SEA)

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