UCSF

ZINC00692658

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) 1.20 8.48 -53.74 2 9 1 92 495.648 10
Mid Mid (pH 6-8) 1.20 10.81 -97.43 3 9 2 93 496.656 10

Activity (Go SEA)

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