UCSF

ZINC37045236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.66 5.02 -13.93 2 5 0 63 285.347 6
Lo Low (pH 4.5-6) 1.66 5.51 -47.02 3 5 1 64 286.355 6

Activity (Go SEA)

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