UCSF

ZINC36668193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 3.24 6.24 -38.82 2 2 1 20 304.227 5
Hi High (pH 8-9.5) 3.24 5.03 -2.53 1 2 0 15 303.219 5
Mid Mid (pH 6-8) 3.24 8.32 -115.39 3 2 2 21 305.235 5
Mid Mid (pH 6-8) 3.24 7.14 -34.58 2 2 1 16 304.227 5

Activity (Go SEA)

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