UCSF

ZINC19501966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 36 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) 3.95 9.22 -15.3 1 9 0 103 496.56 9
Lo Low (pH 4.5-6) 3.95 10.21 -51.86 2 9 1 108 497.568 9

Activity (Go SEA)

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