UCSF

ZINC39849071

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.34 7.25 -58.55 0 7 -1 86 418.473 7
Mid Mid (pH 6-8) 1.34 9.52 -73.98 1 7 0 87 419.481 7
Lo Low (pH 4.5-6) 1.34 8.63 -55.39 2 7 1 84 420.489 7

Activity (Go SEA)

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