UCSF

ZINC33760325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 3.09 9.52 -58.91 0 8 -1 97 468.526 12
Lo Low (pH 4.5-6) 3.09 8.23 -22.37 1 8 0 95 469.534 12

Activity (Go SEA)

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