UCSF

ZINC41934311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 24 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) 1.70 4.19 -14.92 1 6 0 60 336.432 8
Mid Mid (pH 6-8) 1.70 7.22 -50.63 2 6 1 61 337.44 8

Activity (Go SEA)

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