UCSF

ZINC38609795

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 6.78 11.79 -15.2 2 7 0 88 491.632 13
Mid Mid (pH 6-8) 6.78 12.56 -55.37 1 7 -1 91 490.624 13

Activity (Go SEA)

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