UCSF

ZINC33773654

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 2.37 8.89 -52.95 0 8 -1 101 453.515 11
Lo Low (pH 4.5-6) 2.37 7.59 -19.16 1 8 0 98 454.523 11

Activity (Go SEA)

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