UCSF

ZINC15779563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 4.04 10.1 -38.79 1 5 1 37 437.431 5
Mid Mid (pH 6-8) 4.04 7.72 -7.31 0 5 0 35 436.423 5

Activity (Go SEA)

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