UCSF

ZINC33590488

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 4.20 10.71 -44.72 0 8 -1 97 496.58 14
Lo Low (pH 4.5-6) 4.20 9.58 -20.88 1 8 0 95 497.588 14

Activity (Go SEA)

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