UCSF

ZINC12029864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 Yes

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) 3.20 -3.73 -17.83 1 7 0 76 419.529 3
Mid Mid (pH 6-8) 3.20 -3.56 -35.26 2 7 1 77 420.537 3

Activity (Go SEA)

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