UCSF

ZINC25368642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 24 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 6.16 -54.26 2 5 1 52 334.367 7
Hi High (pH 8-9.5) 2.78 3.82 -14.04 1 5 0 51 333.359 7

Activity (Go SEA)

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