UCSF

ZINC39848389

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 2.44 10.06 -75.39 1 8 0 93 454.523 10
Lo Low (pH 4.5-6) 2.44 9.3 -53.02 2 8 1 90 455.531 10

Activity (Go SEA)

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