UCSF

ZINC36213205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.43 10.39 -23.05 1 11 0 148 455.452 5
Lo Low (pH 4.5-6) 3.43 11.34 -49.12 2 11 1 150 456.46 5

Activity (Go SEA)

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