UCSF

ZINC20160158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 12 No

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) -4.36 -5.41 -47.14 4 7 -1 124 172.12 1
Hi High (pH 8-9.5) -4.59 -7.18 -110.84 3 7 -2 131 171.112 1
Mid Mid (pH 6-8) -4.59 -6.85 -89.47 4 7 -1 132 172.12 1

Activity (Go SEA)

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