UCSF

ZINC34681700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 5.04 14.41 -43.1 2 6 1 59 486.423 7
Lo Low (pH 4.5-6) 5.04 14.77 -100.81 3 6 2 60 487.431 7

Activity (Go SEA)

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