UCSF

ZINC33288700

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 24 No

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) 4.58 6.04 -14.26 1 4 0 59 359.834 3
Hi High (pH 8-9.5) 4.58 6.97 -49.16 0 4 -1 62 358.826 3

Activity (Go SEA)

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