UCSF

ZINC04168796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 3.53 9.03 -11.88 2 5 0 71 389.48 5
Hi High (pH 8-9.5) 2.63 7.81 -42.97 1 5 -1 73 388.472 5

Activity (Go SEA)

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