UCSF

ZINC44784615

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 20 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) 0.93 1.1 -4.82 3 6 0 82 282.388 4
Mid Mid (pH 6-8) 0.93 3.3 -38.97 4 6 1 83 283.396 4

Activity (Go SEA)

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