UCSF

ZINC40609664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 31 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) -0.14 0.4 -58.71 6 9 0 165 430.457 2
Hi High (pH 8-9.5) -0.14 2.75 -111.18 5 9 -1 168 429.449 2
Hi High (pH 8-9.5) -0.14 -0.73 -58.58 5 9 -1 164 429.449 2
Hi High (pH 8-9.5) -0.14 1.5 -86.98 5 9 -1 168 429.449 2
Lo Low (pH 4.5-6) -0.14 -2.32 -53.79 7 9 1 163 431.465 2

Activity (Go SEA)

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