UCSF

ZINC44471557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 13 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) -2.24 -1.62 -109.8 6 5 2 83 189.259 4
Mid Mid (pH 6-8) -2.24 -2.97 -53.8 5 5 1 78 188.251 4

Activity (Go SEA)

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