UCSF

ZINC00698533

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 4.32 13.39 -19.92 1 7 0 83 510.704 8
Hi High (pH 8-9.5) 4.13 12.37 -55.75 0 7 -1 89 509.696 8

Activity (Go SEA)

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