UCSF

ZINC36991677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.18 11.13 -53.67 2 2 1 40 344.276 5
Hi High (pH 8-9.5) 4.18 10.41 -6.07 1 2 0 36 343.268 5

Activity (Go SEA)

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