UCSF

ZINC35040012

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) 4.16 11.25 -32.05 1 3 1 31 290.427 7
Hi High (pH 8-9.5) 4.16 9.21 -9.61 0 3 0 30 289.419 7

Activity (Go SEA)

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