UCSF

ZINC34960345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 1.78 10.81 -10.34 3 9 0 115 496.571 6
Lo Low (pH 4.5-6) 1.78 13.08 -47.4 4 9 1 117 497.579 6

Activity (Go SEA)

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