UCSF

ZINC34941242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) -1.27 -1.49 -16.05 6 12 0 172 457.491 7
Mid Mid (pH 6-8) -1.27 -1.19 -60.87 7 12 1 174 458.499 7

Activity (Go SEA)

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