UCSF

ZINC13144997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 30 No

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) 3.29 7.08 -23.69 1 7 0 82 428.558 6
Mid Mid (pH 6-8) 3.29 9.43 -62.18 2 7 1 83 429.566 6

Activity (Go SEA)

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