UCSF

ZINC43703925

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) -0.27 3.06 -52.31 1 7 -1 98 294.312 3
Mid Mid (pH 6-8) 0.19 2.62 -67.82 1 7 -1 103 294.312 3
Mid Mid (pH 6-8) -0.27 5.32 -59.65 2 7 0 100 295.32 3

Activity (Go SEA)

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