UCSF

ZINC09109287

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 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) 2.82 3.41 -55.65 3 9 -1 136 407.406 6
Hi High (pH 8-9.5) 2.82 4.42 -107.05 2 9 -2 139 406.398 6
Lo Low (pH 4.5-6) 2.36 5.9 -16.07 4 9 0 133 408.414 6

Activity (Go SEA)

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