UCSF

ZINC37856669

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) 1.86 1.19 -12.33 2 6 0 88 328.415 5
Mid Mid (pH 6-8) 2.32 -0.99 -44.67 1 6 -1 91 327.407 5

Activity (Go SEA)

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