UCSF

ZINC48288473

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 22 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) 2.66 6.05 -41.62 1 5 1 47 305.377 4
Mid Mid (pH 6-8) 2.66 6.06 -44.21 1 5 1 47 305.377 4
Mid Mid (pH 6-8) 2.66 3.78 -7.99 0 5 0 45 304.369 4

Activity (Go SEA)

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