UCSF

ZINC25645619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 27 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) 4.09 12.22 -18.45 1 6 0 73 377.473 6
Hi High (pH 8-9.5) 4.15 11.32 -43.92 0 6 -1 79 376.465 6
Mid Mid (pH 6-8) 4.09 12.69 -50.15 2 6 1 74 378.481 6

Activity (Go SEA)

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