UCSF

ZINC36251560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 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) 1.29 3.56 -14.49 1 6 0 62 325.453 7
Lo Low (pH 4.5-6) 1.29 5.66 -46.48 2 6 1 63 326.461 7

Activity (Go SEA)

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