UCSF

ZINC36677741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.70 4.61 -42.74 4 6 1 76 293.391 5
Mid Mid (pH 6-8) 1.70 2.67 -7.27 3 6 0 74 292.383 5

Activity (Go SEA)

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