UCSF

ZINC01188537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 25 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) 5.55 9.44 -10.74 1 4 0 59 360.523 5
Hi High (pH 8-9.5) 5.55 9.5 -48.87 0 4 -1 61 359.515 5
Lo Low (pH 4.5-6) 5.55 9.61 -32.36 2 4 1 60 361.531 5

Activity (Go SEA)

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