UCSF

ZINC49020740

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 35 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) 0.56 2.86 -152.28 4 14 -2 207 514.476 14
Mid Mid (pH 6-8) 0.56 1.69 -60.03 5 14 -1 204 515.484 14

Activity (Go SEA)

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