UCSF

ZINC33339335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 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) 3.81 10.13 -51.7 0 5 -1 67 387.44 3
Lo Low (pH 4.5-6) 3.36 11.21 -12.88 1 5 0 64 388.448 3

Activity (Go SEA)

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