UCSF

ZINC21715240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 Yes

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) 4.32 12.01 -95.25 3 5 1 71 378.496 9
Mid Mid (pH 6-8) 4.32 11.58 -69.78 2 5 0 69 377.488 9

Activity (Go SEA)

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