UCSF

ZINC08680885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 29 Yes

Other Names:

MFCD04149601

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) 2.23 7.6 -13.96 2 9 0 134 428.499 8
Mid Mid (pH 6-8) 2.23 7.4 -40.77 1 9 -1 132 427.491 8

Activity (Go SEA)

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