UCSF

ZINC09292542

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 3.30 4.76 -11.31 3 8 0 115 432.48 7
Ref Reference (pH 7) 3.30 5.51 -11.97 3 8 0 115 432.48 7
Lo Low (pH 4.5-6) 3.30 5.88 -59.4 4 8 1 117 433.488 7

Activity (Go SEA)

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