UCSF

ZINC36472083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 28 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) 5.87 15.92 -43.71 1 2 1 9 436.403 4
Mid Mid (pH 6-8) 5.87 13.8 -4.99 0 2 0 8 435.395 4

Activity (Go SEA)

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