UCSF

ZINC36205016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 36 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) 4.64 10.11 -14.68 2 6 0 78 503.668 10
Mid Mid (pH 6-8) 4.64 12.07 -51.3 3 6 1 80 504.676 10

Activity (Go SEA)

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