UCSF

ZINC37048989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.01 3.78 -89.63 4 4 2 48 250.39 5
Mid Mid (pH 6-8) 0.01 3.51 -106.05 4 4 2 48 250.39 5
Mid Mid (pH 6-8) 0.01 1.54 -45.7 3 4 1 47 249.382 5
Lo Low (pH 4.5-6) 0.01 4.23 -164.73 5 4 3 49 251.398 5

Activity (Go SEA)

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