UCSF

ZINC42767815

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) 1.37 5.91 -86.12 5 4 2 59 296.434 8
Mid Mid (pH 6-8) 1.37 6.63 -76.18 5 4 2 59 296.434 8
Lo Low (pH 4.5-6) 1.37 8.22 -167.84 6 4 3 60 297.442 8

Activity (Go SEA)

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