UCSF

ZINC19484140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.18 3.65 -47.68 4 5 1 63 293.416 4
Hi High (pH 8-9.5) 1.18 1.21 -28.29 3 5 0 62 292.408 4

Activity (Go SEA)

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