UCSF

ZINC39914050

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) 3.40 5.86 -11.89 2 8 0 97 457.914 7
Mid Mid (pH 6-8) 3.40 6.63 -48.99 1 8 -1 100 456.906 7

Activity (Go SEA)

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