UCSF

ZINC33680034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 37 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) 4.31 10.2 -16.87 0 8 0 72 507.631 8
Mid Mid (pH 6-8) 4.31 12.48 -58.7 1 8 1 73 508.639 8

Activity (Go SEA)

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