UCSF

ZINC00646463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.99 12.99 -11.07 2 8 0 94 472.936 6
Lo Low (pH 4.5-6) 5.17 13.09 -36.04 3 8 1 99 473.944 6

Activity (Go SEA)

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