UCSF

ZINC00692997

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) 1.42 8.76 -17.31 0 8 0 79 451.571 8
Mid Mid (pH 6-8) 1.42 11.04 -54.71 1 8 1 80 452.579 8

Activity (Go SEA)

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