UCSF

ZINC34681716

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.81 13.71 -57.99 2 8 1 95 450.494 6
Lo Low (pH 4.5-6) 3.81 14.02 -118.29 3 8 2 97 451.502 6

Activity (Go SEA)

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