UCSF

ZINC05649536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 22 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) 3.53 8.4 -7.24 1 3 0 41 318.348 3
Mid Mid (pH 6-8) 3.53 8.36 -31.42 0 3 -1 44 317.34 4
Lo Low (pH 4.5-6) 3.53 8.78 -12.06 1 3 0 41 318.348 4

Activity (Go SEA)

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