UCSF

ZINC12437981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 0.47 1.75 -60.36 1 7 1 61 401.531 7
Mid Mid (pH 6-8) 0.47 1.96 -87.34 2 7 2 62 402.539 7

Activity (Go SEA)

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