UCSF

ZINC34992829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.44 8.95 -54.46 2 3 1 50 285.342 6
Hi High (pH 8-9.5) 3.44 7.84 -9.56 1 3 0 45 284.334 6

Activity (Go SEA)

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