UCSF

ZINC34680780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.16 12.73 -22.24 1 7 0 75 482.943 6
Lo Low (pH 4.5-6) 4.16 13.04 -53.83 2 7 1 76 483.951 6

Activity (Go SEA)

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