UCSF

ZINC43251981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.08 3.76 -47.3 3 4 1 51 302.851 3
Hi High (pH 8-9.5) 1.08 3.27 -7.06 2 4 0 50 301.843 3

Activity (Go SEA)

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