UCSF

ZINC37044782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.51 1.31 -70.5 4 7 0 110 260.301 4
Lo Low (pH 4.5-6) 0.51 1.39 -50.52 5 7 1 111 261.309 4

Activity (Go SEA)

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