UCSF

ZINC36106971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 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) 1.75 5.27 -12.68 1 7 0 71 391.512 8
Mid Mid (pH 6-8) 1.75 7.4 -50.85 2 7 1 72 392.52 8

Activity (Go SEA)

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