UCSF

ZINC32928778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 22 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) 2.49 8.46 -36.13 2 5 1 60 305.398 9
Hi High (pH 8-9.5) 2.49 6.34 -8.97 1 5 0 59 304.39 9

Activity (Go SEA)

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