UCSF

ZINC37438399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -2.45 2.61 -73.56 1 8 -1 119 264.217 3
Mid Mid (pH 6-8) -1.99 0.48 -130.21 0 8 -2 122 263.209 3

Activity (Go SEA)

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