UCSF

ZINC35497573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 4.21 8.97 -39.57 2 1 1 17 329.258 3
Mid Mid (pH 6-8) 4.21 8.24 -2.77 1 1 0 12 328.25 3

Activity (Go SEA)

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