UCSF

ZINC44699631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.87 8.3 -38.91 2 5 1 61 310.377 2
Mid Mid (pH 6-8) 1.87 7.83 -22.21 1 5 0 60 309.369 2

Activity (Go SEA)

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