UCSF

ZINC37859586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.83 2.42 -14.33 1 6 0 83 325.415 3
Mid Mid (pH 6-8) 1.29 0.29 -44.29 0 6 -1 86 324.407 3

Activity (Go SEA)

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