UCSF

ZINC00956272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 31 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) 2.32 8.33 -14.79 2 10 0 112 422.445 6
Lo Low (pH 4.5-6) 2.49 8.7 -43.05 3 10 1 117 423.453 6

Activity (Go SEA)

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