UCSF

ZINC41653000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.81 3.58 -16.16 3 4 0 68 259.284 4
Lo Low (pH 4.5-6) 0.81 4.04 -43.96 4 4 1 69 260.292 4

Activity (Go SEA)

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