UCSF

ZINC42453427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.74 -1.67 -7.93 3 7 0 102 214.225 5
Mid Mid (pH 6-8) -0.28 -3.32 -42.57 2 7 -1 105 213.217 5

Activity (Go SEA)

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