UCSF

ZINC39914059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 3.79 6.26 -10.12 2 7 0 88 427.888 6
Mid Mid (pH 6-8) 3.79 7.04 -48.41 1 7 -1 91 426.88 6

Activity (Go SEA)

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