UCSF

ZINC36254816

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 2.84 8.59 -11.55 1 5 0 53 387.499 6
Lo Low (pH 4.5-6) 2.84 10.51 -46.64 2 5 1 54 388.507 6

Activity (Go SEA)

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