UCSF

ZINC40124117

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 4.11 7.96 -58.01 1 6 -1 82 407.49 8
Lo Low (pH 4.5-6) 4.11 7.18 -13.62 2 6 0 79 408.498 8

Activity (Go SEA)

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