UCSF

ZINC27988909

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 34 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) 6.09 13.22 -56.81 0 5 -1 70 495.382 8
Lo Low (pH 4.5-6) 6.09 12.39 -16.97 1 5 0 67 496.39 8

Activity (Go SEA)

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