UCSF

ZINC06657457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.80 9.95 -16.33 1 6 0 76 355.448 4
Hi High (pH 8-9.5) 3.26 7.52 -53.5 0 6 -1 80 354.44 4

Activity (Go SEA)

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