UCSF

ZINC21524511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) 5.35 14.25 -16.19 0 5 0 47 439.987 10
Mid Mid (pH 6-8) 5.35 14.64 -43.49 1 5 1 49 440.995 10

Activity (Go SEA)

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