UCSF

ZINC50737446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 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) 2.81 8.95 -43.99 2 6 1 63 376.521 9
Hi High (pH 8-9.5) 2.81 6.41 -13.26 1 6 0 62 375.513 9

Activity (Go SEA)

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