UCSF

ZINC42864366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 2.61 6.69 -30.35 3 2 1 30 225.4 2
Mid Mid (pH 6-8) 2.61 5.01 -39.26 3 2 1 31 225.4 2
Mid Mid (pH 6-8) 2.61 6.95 -111.94 4 2 2 32 226.408 2

Activity (Go SEA)

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