UCSF

ZINC55342819

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 1.84 10.74 -13.37 0 6 0 63 381.476 8
Lo Low (pH 4.5-6) 1.84 11.21 -40.83 1 6 1 64 382.484 8

Activity (Go SEA)

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