UCSF

ZINC45663743

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.15 4.89 -100.66 4 3 2 35 245.455 8
Hi High (pH 8-9.5) 2.15 2.42 -38.04 3 3 1 34 244.447 8
Lo Low (pH 4.5-6) 2.15 6.91 -217.06 5 3 3 37 246.463 8

Activity (Go SEA)

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