UCSF

ZINC00001710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 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) 1.23 0.52 -46.93 5 5 1 94 240.279 5
Mid Mid (pH 6-8) 1.23 0.3 -8.54 4 5 0 93 239.271 5

Activity (Go SEA)

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