UCSF

ZINC19261591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 0.59 7.48 -33.52 3 2 1 30 231.363 1
Mid Mid (pH 6-8) 0.59 7.8 -127.8 4 2 2 32 232.371 1

Activity (Go SEA)

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