UCSF

ZINC19839313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.43 4.01 -47.94 3 5 1 63 267.349 7
Hi High (pH 8-9.5) 2.43 5.03 -76.18 2 5 0 66 266.341 7
Hi High (pH 8-9.5) 2.43 2.71 -60.43 1 5 -1 65 265.333 7

Activity (Go SEA)

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