UCSF

ZINC27907141

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 27 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) 2.79 8.53 -53.42 2 6 1 63 377.505 8
Hi High (pH 8-9.5) 2.79 9.43 -76.96 1 6 0 66 376.497 8

Activity (Go SEA)

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