UCSF

ZINC35507240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 3.01 8.57 -12.77 1 8 0 93 383.452 10
Lo Low (pH 4.5-6) 3.01 8.65 -80.21 2 8 0 95 384.46 10

Activity (Go SEA)

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