UCSF

ZINC39870069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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) 4.27 9.07 -77.81 1 8 -1 110 427.458 7
Mid Mid (pH 6-8) 4.27 8.37 -125.2 0 8 -2 112 426.45 7

Activity (Go SEA)

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