UCSF

ZINC38812194

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 15 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) 0.86 1.24 -11.23 4 5 0 83 199.217 1
Lo Low (pH 4.5-6) 0.86 1.68 -25.81 5 5 1 85 200.225 1

Activity (Go SEA)

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