UCSF

ZINC33813332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.94 9.14 -80.91 2 10 0 125 499.564 11
Hi High (pH 8-9.5) 1.94 7.56 -62.67 1 10 -1 124 498.556 11
Lo Low (pH 4.5-6) 1.94 8.78 -64.6 3 10 1 123 500.572 11

Activity (Go SEA)

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