UCSF

ZINC37812454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.19 5.52 -44.22 3 4 1 61 259.329 5
Mid Mid (pH 6-8) -0.19 5.18 -8.59 2 4 0 59 258.321 5

Activity (Go SEA)

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