UCSF

ZINC09562104

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 28 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) 4.94 9.86 -10.03 2 6 0 80 437.352 7
Hi High (pH 8-9.5) 4.94 9.52 -44.23 1 6 -1 78 436.344 7

Activity (Go SEA)

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