UCSF

ZINC39080927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) -0.27 0.16 -38.91 2 3 1 29 157.237 1
Mid Mid (pH 6-8) -0.27 2.38 -109.18 3 3 2 30 158.245 1
Lo Low (pH 4.5-6) -0.27 1.06 -30.22 2 3 1 26 157.237 1

Activity (Go SEA)

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