UCSF

ZINC62019349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 2.47 6.57 -43.54 3 3 1 44 260.336 4
Hi High (pH 8-9.5) 2.47 6.5 -23.94 3 3 1 43 260.336 4
Hi High (pH 8-9.5) 2.47 6.16 -7.5 2 3 0 42 259.328 4

Activity (Go SEA)

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