UCSF

ZINC34991695

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) 4.36 10.32 -97.94 3 3 2 30 359.352 9
Hi High (pH 8-9.5) 4.36 9.21 -33.43 2 3 1 26 358.344 9

Activity (Go SEA)

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