UCSF

ZINC53155357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.69 6.86 -38.6 2 2 1 16 257.76 3
Mid Mid (pH 6-8) 2.69 5.67 -47.84 2 2 1 20 257.76 3
Lo Low (pH 4.5-6) 2.69 8.05 -116.16 3 2 2 21 258.768 3

Activity (Go SEA)

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