UCSF

ZINC58271298

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 1.78 7.23 -56.98 1 6 1 64 315.397 5
Mid Mid (pH 6-8) 1.78 5.04 -15.67 0 6 0 62 314.389 5

Activity (Go SEA)

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