UCSF

ZINC34664755

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.70 5.61 -36.95 2 5 1 53 290.387 6
Hi High (pH 8-9.5) 2.70 4.43 -6.32 1 5 0 48 289.379 6

Activity (Go SEA)

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