UCSF

ZINC39898106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 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) 4.50 7.07 -14.74 3 8 0 108 499.995 11
Mid Mid (pH 6-8) 4.50 7.83 -50.27 2 8 -1 111 498.987 11

Activity (Go SEA)

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