UCSF

ZINC42472849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.68 5.25 -44.44 3 2 1 31 267.462 4
Hi High (pH 8-9.5) 2.68 4.78 -1.53 2 2 0 29 266.454 4
Lo Low (pH 4.5-6) 2.68 7.04 -126.54 4 2 2 32 268.47 4

Activity (Go SEA)

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