UCSF

ZINC36132893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 1.19 8.03 -56.4 0 5 -1 84 265.333 5
Lo Low (pH 4.5-6) 1.19 6.46 -12.14 1 5 0 81 266.341 5

Activity (Go SEA)

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