UCSF

ZINC33723550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 4.06 11.06 -55.31 2 8 0 104 510.631 14
Lo Low (pH 4.5-6) 4.06 9.93 -51.83 3 8 1 101 511.639 14

Activity (Go SEA)

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