UCSF

ZINC19500281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 3.01 7.41 -39.9 1 5 1 35 337.484 8
Hi High (pH 8-9.5) 3.01 5.54 -6.88 0 5 0 34 336.476 8
Mid Mid (pH 6-8) 3.01 7.86 -46.4 1 5 1 35 337.484 8

Activity (Go SEA)

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