UCSF

ZINC37846086

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.33 7.42 -11.44 0 3 0 33 319.202 3
Lo Low (pH 4.5-6) 2.33 7.88 -42.26 1 3 1 34 320.21 3

Activity (Go SEA)

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