UCSF

ZINC36788933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.73 7.15 -127.07 4 3 2 41 278.44 5
Hi High (pH 8-9.5) 1.73 4.77 -3.34 2 3 0 38 276.424 5
Mid Mid (pH 6-8) 1.73 6.9 -33.05 3 3 1 40 277.432 5
Mid Mid (pH 6-8) 1.73 5.19 -43.8 3 3 1 40 277.432 5

Activity (Go SEA)

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