UCSF

ZINC31897262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.58 10.67 -54.8 2 6 1 68 391.561 7
Hi High (pH 8-9.5) 2.58 8.38 -20.03 1 6 0 67 390.553 7

Activity (Go SEA)

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