UCSF

ZINC34680058

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) 3.55 11.3 -17.43 1 6 0 75 439.515 8
Lo Low (pH 4.5-6) 3.55 11.76 -50.28 2 6 1 77 440.523 8

Activity (Go SEA)

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