UCSF

ZINC37835668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.27 5.88 -54.62 1 5 -1 81 274.296 5
Lo Low (pH 4.5-6) 1.27 3.94 -14.81 2 5 0 78 275.304 5

Activity (Go SEA)

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