UCSF

ZINC49757339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 33 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) 8.08 19.12 -13.87 0 5 0 59 435.575 8
Lo Low (pH 4.5-6) 8.08 19.6 -49.15 1 5 1 60 436.583 8

Activity (Go SEA)

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