UCSF

ZINC00060594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 4.12 8.92 -13.66 1 5 0 71 299.355 2
Lo Low (pH 4.5-6) 3.19 9.06 -30.86 2 5 1 69 300.363 3

Activity (Go SEA)

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