UCSF

ZINC33870617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 33 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) 5.18 15.5 -12.27 0 5 0 49 440.591 5
Mid Mid (pH 6-8) 5.18 15.82 -34.64 1 5 1 51 441.599 5

Activity (Go SEA)

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