UCSF

ZINC41586896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.00 7.05 -9.51 0 6 0 55 454.954 5
Mid Mid (pH 6-8) 4.00 9.91 -53.18 1 6 1 56 455.962 5
Mid Mid (pH 6-8) 4.00 9.31 -47.41 1 6 1 56 455.962 5
Lo Low (pH 4.5-6) 4.00 12.18 -127.11 2 6 2 58 456.97 5

Activity (Go SEA)

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