UCSF

ZINC00615076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 3.91 7.99 -13.05 1 7 0 102 343.335 4
Hi High (pH 8-9.5) 3.91 8.98 -51.66 0 7 -1 104 342.327 4

Activity (Go SEA)

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