UCSF

ZINC37813950

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) -0.20 6.68 -101.4 3 5 2 56 264.373 4
Mid Mid (pH 6-8) -0.20 5.64 -51.58 2 5 1 55 263.365 4

Activity (Go SEA)

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