UCSF

ZINC32534927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 3.98 12.69 -108.73 2 2 2 9 288.479 6
Hi High (pH 8-9.5) 3.98 10.74 -32.15 1 2 1 8 287.471 6
Hi High (pH 8-9.5) 3.98 10.4 -38.6 1 2 1 8 287.471 6

Activity (Go SEA)

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