UCSF

ZINC23358913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.72 8.26 -52.82 2 4 1 37 405.509 7
Mid Mid (pH 6-8) 3.72 7.83 -44.16 2 4 1 37 405.509 7
Mid Mid (pH 6-8) 3.72 6 -8.52 1 4 0 36 404.501 7

Activity (Go SEA)

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