UCSF

ZINC32899778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 30 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) 3.55 9.34 -20.02 1 7 0 78 434.468 8
Hi High (pH 8-9.5) 3.62 8.42 -46.31 0 7 -1 85 433.46 8

Activity (Go SEA)

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