UCSF

ZINC28577720

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 26 Yes

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) 3.41 4.99 -53.27 0 6 -1 95 409.534 6
Lo Low (pH 4.5-6) 3.41 5.12 -17.58 1 6 0 93 410.542 6

Activity (Go SEA)

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