UCSF

ZINC40022599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 27 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) 3.60 8.74 -58.12 0 5 -1 70 380.445 8
Lo Low (pH 4.5-6) 3.60 7.99 -12.16 1 5 0 67 381.453 8

Activity (Go SEA)

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