UCSF

ZINC36543548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 34 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) 6.92 11.03 -11.45 2 6 0 83 483.008 8
Hi High (pH 8-9.5) 6.92 11.81 -55.56 1 6 -1 86 482 8

Activity (Go SEA)

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