UCSF

ZINC65453091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2011 23 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) 1.48 6.21 -49.65 4 5 1 78 328.465 6
Hi High (pH 8-9.5) 1.48 5.81 -11.91 3 5 0 77 327.457 6
Lo Low (pH 4.5-6) 1.48 6.66 -96 5 5 2 80 329.473 6

Activity (Go SEA)

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