UCSF

ZINC36876858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.64 6.5 -53.66 4 4 1 66 288.415 6
Hi High (pH 8-9.5) 1.64 6.26 -8.64 3 4 0 64 287.407 6
Lo Low (pH 4.5-6) 1.64 6.88 -122.47 5 4 2 67 289.423 6

Activity (Go SEA)

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