UCSF

ZINC38806142

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.81 12.16 -44.26 3 6 1 81 459.632 8
Hi High (pH 8-9.5) 5.81 11.28 -11.71 2 6 0 77 458.624 8

Activity (Go SEA)

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