UCSF

ZINC39870178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 5.71 9.72 -47.98 0 5 -1 70 406.27 5
Mid Mid (pH 6-8) 5.71 10.3 -12.43 1 5 0 68 407.278 5

Activity (Go SEA)

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