UCSF

ZINC37503250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 2.09 8.02 -42.57 1 3 1 25 328.205 1
Mid Mid (pH 6-8) 2.09 5.89 -7.26 0 3 0 24 327.197 1

Activity (Go SEA)

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