UCSF

ZINC06706652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 27 No

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) 1.37 2.87 -17.37 2 8 0 109 393.465 8
Hi High (pH 8-9.5) 1.37 4.08 -52.18 1 8 -1 112 392.457 8
Lo Low (pH 4.5-6) 1.37 3.15 -41.97 3 8 1 110 394.473 8

Activity (Go SEA)

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