UCSF

ZINC16532395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 32 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) 4.23 9.34 -11.33 1 5 0 47 459.924 6
Mid Mid (pH 6-8) 4.23 11.62 -47.3 2 5 1 48 460.932 6

Activity (Go SEA)

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