UCSF

ZINC44609967

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.01 3.99 -44.09 3 3 1 44 254.423 4
Hi High (pH 8-9.5) 2.01 6.22 -30.42 3 3 1 43 254.423 4
Mid Mid (pH 6-8) 2.01 5.88 -115.57 4 3 2 45 255.431 4

Activity (Go SEA)

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