UCSF

ZINC06810064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 18 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) 1.61 5.51 -47.32 2 4 1 50 245.302 1
Mid Mid (pH 6-8) 1.61 4.19 -7.64 1 4 0 45 244.294 1

Activity (Go SEA)

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