UCSF

ZINC21638734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 0.26 6 -46.61 1 7 1 63 320.417 3
Mid Mid (pH 6-8) 0.26 3.73 -7.83 0 7 0 62 319.409 3

Activity (Go SEA)

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