UCSF

ZINC02428181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 6.03 12.73 -56.72 2 7 1 90 506.497 8
Mid Mid (pH 6-8) 6.03 13.37 -27.07 1 7 0 93 505.489 8

Activity (Go SEA)

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