UCSF

ZINC33771276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 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) 3.90 11.92 -66.38 1 8 0 104 476.529 10
Hi High (pH 8-9.5) 3.90 9.59 -56.85 0 8 -1 103 475.521 10
Lo Low (pH 4.5-6) 3.90 11.1 -49.74 2 8 1 101 477.537 10

Activity (Go SEA)

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