UCSF

ZINC40093646

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 6.45 14.28 -59.1 0 7 -1 88 522.662 14
Lo Low (pH 4.5-6) 6.45 13.53 -14.75 1 7 0 85 523.67 14

Activity (Go SEA)

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