UCSF

ZINC42781788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.49 5.51 -93.89 3 3 2 24 267.442 3
Mid Mid (pH 6-8) 1.49 3.46 -40.25 2 3 1 23 266.434 3

Activity (Go SEA)

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