UCSF

ZINC44684989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.01 5.9 -39.85 2 2 1 20 217.336 4
Hi High (pH 8-9.5) 2.01 4.72 -2.14 1 2 0 15 216.328 4
Mid Mid (pH 6-8) 2.01 7.07 -31.32 2 2 1 16 217.336 4
Lo Low (pH 4.5-6) 2.01 8.24 -110.58 3 2 2 21 218.344 4

Activity (Go SEA)

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