UCSF

ZINC08236370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 2.63 9.55 -25.67 4 7 0 110 410.499 3
Mid Mid (pH 6-8) 3.35 9.23 -53.09 3 7 -1 107 409.491 3

Activity (Go SEA)

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