UCSF

ZINC42206108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.04 7.01 -45.52 2 3 1 34 300.22 6
Hi High (pH 8-9.5) 3.04 4.76 -9.05 1 3 0 32 299.212 6

Activity (Go SEA)

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