UCSF

ZINC40099674

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 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) 6.19 13.93 -58.35 0 7 -1 88 520.646 15
Lo Low (pH 4.5-6) 6.19 13.18 -14.11 1 7 0 85 521.654 15

Activity (Go SEA)

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