UCSF

ZINC36272039

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) 2.78 7.87 -77.87 4 6 2 61 367.497 5
Hi High (pH 8-9.5) 2.78 6.44 -10.03 2 6 0 59 365.481 5
Mid Mid (pH 6-8) 2.78 8.71 -44.11 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.78 5.6 -27.08 3 6 1 60 366.489 5

Activity (Go SEA)

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