UCSF

ZINC00921296

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.53 0.98 -42.6 2 7 1 91 366.397 8
Lo Low (pH 4.5-6) 2.53 1.09 -83.16 3 7 2 92 367.405 8

Activity (Go SEA)

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