UCSF

ZINC36132454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.15 6.39 -70.36 1 6 -1 90 283.348 6
Lo Low (pH 4.5-6) 1.15 4.41 -18.85 2 6 0 87 284.356 6

Activity (Go SEA)

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