UCSF

ZINC09442823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 1.18 -10 -18.81 1 9 0 113 479.58 6
Hi High (pH 8-9.5) 1.18 -9.46 -55.97 0 9 -1 115 478.572 6

Activity (Go SEA)

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