UCSF

ZINC36104280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 4.32 10.84 -51.9 2 3 1 34 366.456 9
Hi High (pH 8-9.5) 4.32 8.24 -7.99 1 3 0 33 365.448 9

Activity (Go SEA)

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