UCSF

ZINC35506124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 3.78 8.18 -44.35 2 2 1 26 258.366 3
Mid Mid (pH 6-8) 3.78 6.84 -6.27 1 2 0 21 257.358 3

Activity (Go SEA)

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