UCSF

ZINC33707457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 4.24 9.01 -11.43 1 6 0 71 509.369 5
Lo Low (pH 4.5-6) 0.57 9.97 -37.74 2 6 1 70 510.377 6

Activity (Go SEA)

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