UCSF

ZINC34984738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 0.64 11.89 -34.18 1 4 1 42 358.465 5
Lo Low (pH 4.5-6) 0.64 12.31 -98.68 2 4 2 43 359.473 5

Activity (Go SEA)

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