UCSF

ZINC41663190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.83 5.49 -10.31 0 7 0 58 435.524 5
Mid Mid (pH 6-8) 2.83 7.76 -49.78 1 7 1 60 436.532 5
Lo Low (pH 4.5-6) 2.83 8.53 -133.2 2 7 0 61 437.54 5

Activity (Go SEA)

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