UCSF

ZINC44822710

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 13 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) -0.01 1.38 -7.72 1 4 0 56 181.239 2
Mid Mid (pH 6-8) -0.01 2.67 -47.09 2 4 1 61 182.247 2

Activity (Go SEA)

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