UCSF

ZINC39870337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.51 12.2 -18.85 1 6 0 88 379.441 6
Mid Mid (pH 6-8) 5.51 11.53 -46.07 0 6 -1 90 378.433 6

Activity (Go SEA)

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