UCSF

ZINC39914479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 7.23 11.55 -9.18 2 5 0 69 451.998 7
Mid Mid (pH 6-8) 7.23 12.32 -46.59 1 5 -1 72 450.99 7

Activity (Go SEA)

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