UCSF

ZINC34825545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.61 10.47 -36.67 2 2 1 26 388.112 5
Hi High (pH 8-9.5) 5.61 9.19 -4.89 1 2 0 21 387.104 5

Activity (Go SEA)

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