UCSF

ZINC18456311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2008 33 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) -2.06 -3.45 -366.3 4 18 -4 290 549.244 9
Mid Mid (pH 6-8) -2.06 -4.61 -229.17 5 18 -3 288 550.252 9

Activity (Go SEA)

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