UCSF

ZINC36998032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.84 5.02 -6.09 2 3 0 41 303.789 4
Lo Low (pH 4.5-6) 3.84 6.07 -46.52 3 3 1 46 304.797 4

Activity (Go SEA)

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