UCSF

ZINC41678304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.23 10.64 -68.39 1 5 0 62 307.419 8
Lo Low (pH 4.5-6) 2.23 11.1 -74.31 2 5 1 64 308.427 8

Activity (Go SEA)

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