UCSF

ZINC51995162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 19 Yes

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) 2.38 3.86 -7.44 1 4 0 42 266.385 4
Lo Low (pH 4.5-6) 2.38 6 -35 2 4 1 43 267.393 4

Activity (Go SEA)

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