UCSF

ZINC43700030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -2.64 2.81 -38.42 3 4 0 71 158.201 4
Mid Mid (pH 6-8) -2.64 1.24 -32.85 3 4 0 71 158.201 4
Mid Mid (pH 6-8) -2.64 3.18 -78.83 4 4 1 72 159.209 4

Activity (Go SEA)

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