UCSF

ZINC04006985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.22 3.64 -52.63 3 9 -1 146 533.409 6
Lo Low (pH 4.5-6) 4.22 4.18 -19.47 4 9 0 144 534.417 6

Activity (Go SEA)

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