UCSF

ZINC15779430

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 27 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) 2.74 8.56 -38.24 1 6 1 46 368.505 5
Mid Mid (pH 6-8) 2.74 6.2 -7.82 0 6 0 45 367.497 5

Activity (Go SEA)

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