UCSF

ZINC19995359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 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) 2.54 9.58 -32.41 1 7 0 90 397.485 5
Hi High (pH 8-9.5) 2.72 8.51 -53.66 0 7 -1 96 396.477 5

Activity (Go SEA)

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