UCSF

ZINC01145345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 36 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) 3.00 10.38 -43.03 0 8 -1 101 487.532 9
Lo Low (pH 4.5-6) 3.00 0.69 -47.96 2 8 1 99 489.548 9
Lo Low (pH 4.5-6) 2.41 0.56 -55.73 1 8 1 96 489.548 9

Activity (Go SEA)

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