UCSF

ZINC40003443

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 6.11 15.03 -66.73 0 7 -1 91 521.622 4
Lo Low (pH 4.5-6) 6.11 14.27 -19.28 1 7 0 88 522.63 4

Activity (Go SEA)

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