UCSF

ZINC39754579

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.63 9.65 -17.57 1 8 0 110 390.808 5
Mid Mid (pH 6-8) 4.15 6.74 -46.03 0 8 -1 116 389.8 5

Activity (Go SEA)

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