UCSF

ZINC32003577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 5.83 8.06 -4.18 1 1 0 20 260.764 2
Hi High (pH 8-9.5) 5.83 8.7 -41.13 0 1 -1 23 259.756 2

Activity (Go SEA)

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