UCSF

ZINC00735587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.02 10.53 -14.97 2 6 0 74 462.981 6
Lo Low (pH 4.5-6) 4.02 10.97 -52.56 3 6 1 76 463.989 6

Activity (Go SEA)

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