UCSF

ZINC37827220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.36 4.3 -44.95 3 4 1 57 263.361 5
Mid Mid (pH 6-8) -0.36 3.97 -10.83 2 4 0 56 262.353 5

Activity (Go SEA)

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