UCSF

ZINC36852992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.07 5.74 -39.81 2 5 1 54 282.408 7
Hi High (pH 8-9.5) 1.07 4.9 -49.79 2 5 1 57 282.408 7
Hi High (pH 8-9.5) 1.07 3.63 -8.01 1 5 0 53 281.4 7
Lo Low (pH 4.5-6) 1.07 6.99 -123.18 3 5 2 58 283.416 7

Activity (Go SEA)

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