UCSF

ZINC40102030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 7.38 14.64 -62.25 0 7 -1 88 536.689 17
Lo Low (pH 4.5-6) 7.38 13.88 -17.17 1 7 0 85 537.697 17

Activity (Go SEA)

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