UCSF

ZINC19391573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.27 7.6 -33.58 3 2 1 30 221.368 7
Mid Mid (pH 6-8) 1.27 7.89 -128.62 4 2 2 32 222.376 7

Activity (Go SEA)

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