UCSF

ZINC19905954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 2.62 8.43 -32.34 2 3 1 29 284.427 8
Hi High (pH 8-9.5) 2.62 7.54 -43.27 2 3 1 33 284.427 8
Mid Mid (pH 6-8) 2.62 8.06 -3.95 1 3 0 28 283.419 8
Lo Low (pH 4.5-6) 2.62 9.89 -86.8 3 3 2 31 285.435 8

Activity (Go SEA)

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