UCSF

ZINC33752379

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 No

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) 5.81 13.51 -54.67 0 6 -1 79 484.572 11
Lo Low (pH 4.5-6) 5.81 12.21 -17.06 1 6 0 76 485.58 11

Activity (Go SEA)

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