UCSF

ZINC39849389

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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) 1.65 10.45 -77.05 1 7 0 91 409.486 10
Lo Low (pH 4.5-6) 1.65 9.56 -49.92 2 7 1 88 410.494 10

Activity (Go SEA)

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