UCSF

ZINC00701124

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) 5.18 12.68 -11.75 0 4 0 36 495.998 10
Mid Mid (pH 6-8) 5.18 14.88 -58.21 1 4 1 38 497.006 10

Activity (Go SEA)

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