UCSF

ZINC44680886

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.04 1.79 -43 3 5 1 71 283.373 4
Hi High (pH 8-9.5) 1.04 -0.67 -9.23 2 5 0 70 282.365 4

Activity (Go SEA)

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