UCSF

ZINC19478760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) -0.07 5.12 -44.55 3 3 1 48 233.335 2
Mid Mid (pH 6-8) -0.07 4.79 -9.79 2 3 0 46 232.327 2

Activity (Go SEA)

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