UCSF

ZINC13799646

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 32 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) 1.72 6.29 -54.68 0 10 -1 132 440.432 8
Mid Mid (pH 6-8) 2.16 7.54 -65.79 2 10 1 130 442.448 7
Mid Mid (pH 6-8) 1.72 8.62 -73.57 1 10 0 133 441.44 8

Activity (Go SEA)

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