UCSF

ZINC40918840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 25 Yes

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) 7.13 13.87 -55.33 0 2 -1 40 341.515 8
Lo Low (pH 4.5-6) 7.13 13.29 -5.12 1 2 0 37 342.523 8

Activity (Go SEA)

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