UCSF

ZINC42776384

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 4.38 8.13 -7.61 0 2 0 20 385.167 7
Mid Mid (pH 6-8) 4.38 10 -46.18 1 2 1 22 386.175 7

Activity (Go SEA)

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