UCSF

ZINC40109544

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 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) 3.40 7.84 -67.22 1 8 -1 112 510.95 11
Lo Low (pH 4.5-6) 3.40 7.09 -19.76 2 8 0 109 511.958 11

Activity (Go SEA)

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