UCSF

ZINC21925530

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 25 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) 1.02 5.47 -19.06 1 8 0 94 342.355 4
Lo Low (pH 4.5-6) 1.02 5.95 -58.81 2 8 1 95 343.363 4

Activity (Go SEA)

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