UCSF

ZINC41902174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 22 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) 1.23 9.28 -43.88 1 4 1 38 296.394 3
Hi High (pH 8-9.5) 1.23 7.45 -10.82 0 4 0 36 295.386 3

Activity (Go SEA)

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