UCSF

ZINC39224308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 13 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) 2.16 4.05 -32.71 2 2 1 20 183.319 4
Hi High (pH 8-9.5) 2.16 2.87 -0.46 1 2 0 15 182.311 4
Mid Mid (pH 6-8) 2.16 4.78 -30.7 2 2 1 16 183.319 4
Lo Low (pH 4.5-6) 2.16 6.02 -106.68 3 2 2 21 184.327 4

Activity (Go SEA)

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