UCSF

ZINC21523498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 3.55 6.92 -10.12 0 6 0 49 381.476 7
Mid Mid (pH 6-8) 3.55 7.42 -30.77 1 6 1 50 382.484 7

Activity (Go SEA)

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