UCSF

ZINC43703031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) -1.90 -3.53 -89.22 1 10 -2 156 303.252 3
Mid Mid (pH 6-8) -2.36 -1.78 -65.39 2 10 -1 152 304.26 3
Mid Mid (pH 6-8) -1.90 -4.33 -121.41 1 10 -2 156 303.252 3

Activity (Go SEA)

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