UCSF

ZINC27642654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 22 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) 4.71 13.1 -49.67 0 3 -1 57 301.406 10
Lo Low (pH 4.5-6) 4.71 11.11 -13.3 1 3 0 54 302.414 10
Lo Low (pH 4.5-6) 4.71 11.12 -11.97 1 3 0 54 302.414 10

Activity (Go SEA)

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