UCSF

ZINC33032654

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 24 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) 0.26 4.67 -16.14 1 6 0 62 333.432 7
Mid Mid (pH 6-8) 0.26 6.04 -58.33 2 6 1 66 334.44 7

Activity (Go SEA)

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