UCSF

ZINC40079090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.60 7.08 -60.12 1 9 -1 125 482.509 12
Lo Low (pH 4.5-6) 2.60 6.26 -17.57 2 9 0 123 483.517 12

Activity (Go SEA)

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