UCSF

ZINC13127679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 Yes

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) 2.80 13 -22.24 1 6 0 72 349.369 3
Mid Mid (pH 6-8) 2.80 13.33 -42.71 2 6 1 74 350.377 3
Mid Mid (pH 6-8) 3.33 12.67 -98.43 4 6 2 82 351.385 3
Mid Mid (pH 6-8) 3.32 11.65 -34.64 2 6 1 77 350.377 3

Activity (Go SEA)

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