UCSF

ZINC25399878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 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) 2.69 7.86 -13.7 1 7 0 73 420.513 6
Mid Mid (pH 6-8) 2.69 10.03 -42.54 2 7 1 74 421.521 6

Activity (Go SEA)

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