UCSF

ZINC35576837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 10 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) 0.13 1.06 -9.12 1 3 0 38 156.21 0
Lo Low (pH 4.5-6) 0.13 1.55 -27.33 2 3 1 39 157.218 0

Activity (Go SEA)

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