UCSF

ZINC04744853

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 21 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) 3.78 7.04 -12.8 1 4 0 59 304.415 3
Hi High (pH 8-9.5) 3.78 7.11 -47.16 0 4 -1 61 303.407 3
Lo Low (pH 4.5-6) 3.78 7.38 -32.75 2 4 1 60 305.423 3

Activity (Go SEA)

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