UCSF

ZINC42578880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.52 7.21 -2.22 2 2 0 29 240.778 4
Mid Mid (pH 6-8) 3.52 7.09 -25.61 3 2 1 30 241.786 4

Activity (Go SEA)

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