UCSF

ZINC35700025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.60 8.63 -66.98 1 5 0 71 263.293 5
Mid Mid (pH 6-8) 1.60 6.27 -53.02 0 5 -1 70 262.285 5

Activity (Go SEA)

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