UCSF

ZINC06557417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 21 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) 3.76 8.78 -20.88 1 4 0 50 299.761 1
Hi High (pH 8-9.5) 4.22 7.43 -48.17 0 4 -1 53 298.753 1
Lo Low (pH 4.5-6) 3.76 8.95 -37.59 2 4 1 51 300.769 1

Activity (Go SEA)

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