UCSF

ZINC37856165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.95 2.49 -42.49 4 4 1 69 253.297 5
Mid Mid (pH 6-8) 0.95 1.35 -11.86 3 4 0 64 252.289 5

Activity (Go SEA)

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