UCSF

ZINC37809446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.14 3.86 -37.02 4 4 1 68 265.377 8
Mid Mid (pH 6-8) 1.14 3.56 -8.98 3 4 0 67 264.369 8

Activity (Go SEA)

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