UCSF

ZINC22298921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 31 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) 5.12 12.19 -210.91 0 8 -3 137 431.405 6
Mid Mid (pH 6-8) 5.13 10.81 -158.93 1 8 -2 135 432.413 6

Activity (Go SEA)

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