UCSF

ZINC36301035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 1.47 5.42 -35.21 2 4 1 43 229.344 7
Mid Mid (pH 6-8) 1.47 4.55 -43.2 2 4 1 46 229.344 7
Mid Mid (pH 6-8) 1.47 6.76 -104.55 3 4 2 47 230.352 7

Activity (Go SEA)

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