UCSF

ZINC22708461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 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) 6.99 18.29 -46.16 3 5 1 64 473.6 3
Mid Mid (pH 6-8) 4.13 11.95 -28.68 2 8 0 113 433.464 9

Activity (Go SEA)

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