UCSF

ZINC42944398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.37 3.42 -42.24 4 3 1 51 283.823 4
Hi High (pH 8-9.5) 1.37 4.78 -39.08 4 3 1 51 283.823 4

Activity (Go SEA)

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