UCSF

ZINC40048401

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 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) 3.90 8.23 -59.16 1 7 -1 99 452.527 12
Lo Low (pH 4.5-6) 3.90 7.49 -13.13 2 7 0 96 453.535 12

Activity (Go SEA)

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