UCSF

ZINC39044657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 17 Yes

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) 0.16 1.42 -46.01 4 5 1 83 240.279 7
Mid Mid (pH 6-8) 0.16 1.11 -7.53 3 5 0 82 239.271 7

Activity (Go SEA)

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