UCSF

ZINC19833214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.06 4.88 -60.11 4 5 1 83 267.74 5
Hi High (pH 8-9.5) 1.06 2.52 -17.41 3 5 0 82 266.732 5

Activity (Go SEA)

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