UCSF

ZINC28182425

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 29 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) 2.99 6.63 -14.07 1 6 0 68 390.439 3
Mid Mid (pH 6-8) 2.99 7.26 -44.2 0 6 -1 71 389.431 3
Lo Low (pH 4.5-6) 2.99 8.98 -59.19 2 6 1 69 391.447 3

Activity (Go SEA)

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