UCSF

ZINC40444483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) -0.95 -1.18 -8.38 3 7 0 104 239.26 3
Mid Mid (pH 6-8) -0.49 -2.85 -39.58 2 7 -1 107 238.252 3

Activity (Go SEA)

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