UCSF

ZINC39764033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 4.20 9.17 -26.42 1 6 0 75 473.385 6
Lo Low (pH 4.5-6) 4.20 11.43 -49.24 2 6 1 76 474.393 6

Activity (Go SEA)

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