UCSF

ZINC02789211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.15 12.61 -52.2 0 4 -1 66 336.411 8
Lo Low (pH 4.5-6) 6.15 12.89 -34.26 1 4 0 67 337.419 8

Activity (Go SEA)

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