UCSF

ZINC42775786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.87 8.8 -34.74 1 3 1 25 299.385 8
Hi High (pH 8-9.5) 2.87 6.57 -7.78 0 3 0 24 298.377 8
Hi High (pH 8-9.5) 2.87 7.88 -33.59 1 3 1 25 299.385 8
Lo Low (pH 4.5-6) 2.87 10.36 -109.18 2 3 2 26 300.393 8

Activity (Go SEA)

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