UCSF

ZINC15679060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 24 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) 4.22 9.26 -8.6 1 4 0 47 329.419 4
Mid Mid (pH 6-8) 4.22 9.74 -31.13 2 4 1 48 330.427 4

Activity (Go SEA)

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