UCSF

ZINC36877050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.19 5.83 -27.73 4 3 1 56 264.78 3
Hi High (pH 8-9.5) 1.19 5.95 -7.1 3 3 0 55 263.772 3
Mid Mid (pH 6-8) 1.19 5.38 -45.49 4 3 1 56 264.78 3
Lo Low (pH 4.5-6) 1.19 6.14 -115.28 5 3 2 58 265.788 3

Activity (Go SEA)

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