UCSF

ZINC34676579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 4.40 14.59 -38.13 1 7 1 57 463.631 4
Hi High (pH 8-9.5) 4.40 14.41 -12.03 0 7 0 56 462.623 4

Activity (Go SEA)

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