UCSF

ZINC41669104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.49 5.93 -9.32 0 7 0 64 504.505 7
Mid Mid (pH 6-8) 4.49 8.19 -47.53 1 7 1 66 505.513 7

Activity (Go SEA)

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