UCSF

ZINC37837235

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.44 6.15 -84.78 1 6 0 82 330.431 3
Mid Mid (pH 6-8) 1.44 3.87 -58.2 0 6 -1 81 329.423 3

Activity (Go SEA)

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