UCSF

ZINC36874195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

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) 1.67 7.4 -50.64 3 6 1 91 287.343 3
Mid Mid (pH 6-8) 1.67 7.82 -106.33 4 6 2 92 288.351 3

Activity (Go SEA)

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