UCSF

ZINC17016011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 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) 5.12 10.1 -19.44 1 4 0 55 396.324 5
Mid Mid (pH 6-8) 5.19 9.21 -47.78 0 4 -1 61 395.316 5

Activity (Go SEA)

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