UCSF

ZINC36272049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.75 8.72 -47.77 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.75 7.52 -36.5 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.75 7.88 -77.23 4 6 2 61 367.497 5
Mid Mid (pH 6-8) 2.75 6.43 -12.06 2 6 0 59 365.481 5

Activity (Go SEA)

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