UCSF

ZINC33760330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 2.94 10.98 -58.31 0 8 -1 101 487.532 10
Lo Low (pH 4.5-6) 2.94 9.68 -22.76 1 8 0 98 488.54 10
Lo Low (pH 4.5-6) 2.94 10.12 -60.89 2 8 1 99 489.548 10

Activity (Go SEA)

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