UCSF

ZINC06786107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 2.59 8.98 -57.01 0 8 -1 115 395.391 8
Mid Mid (pH 6-8) 3.04 1.01 -22.07 1 8 0 112 396.399 7

Activity (Go SEA)

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