UCSF

ZINC18164704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 4.80 8.36 -15.83 1 8 0 96 486.619 6
Ref Reference (pH 7) 3.88 8.15 -16.95 1 8 0 93 486.619 7
Lo Low (pH 4.5-6) 3.88 8.51 -40.42 2 8 1 94 487.627 7

Activity (Go SEA)

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