UCSF

ZINC40124024

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 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) 4.03 7.71 -56.57 1 7 -1 97 438.5 10
Lo Low (pH 4.5-6) 4.03 6.95 -15.89 2 7 0 94 439.508 10

Activity (Go SEA)

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