UCSF

ZINC03339020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 2.78 8.45 -50.56 4 4 1 66 355.502 8
Hi High (pH 8-9.5) 2.78 7.03 -9.95 3 4 0 61 354.494 8

Activity (Go SEA)

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