UCSF

ZINC64249272

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2011 18 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) 0.72 5.79 -54.26 1 5 1 58 254.354 6
Mid Mid (pH 6-8) 0.72 3.59 -12.16 0 5 0 57 253.346 6

Activity (Go SEA)

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