UCSF

ZINC40028056

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 2.49 8.85 -56.97 0 9 -1 125 421.385 6
Lo Low (pH 4.5-6) 2.49 8.1 -18.42 1 9 0 122 422.393 6

Activity (Go SEA)

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