UCSF

ZINC25724808

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 14 No

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) 0.56 2.26 -42.57 1 6 -1 98 195.154 2
Mid Mid (pH 6-8) 0.56 1.48 -14.74 2 6 0 95 196.162 2

Activity (Go SEA)

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