UCSF

ZINC01514856

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 28 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) 2.87 5.38 -49.45 0 7 -1 89 374.376 3
Lo Low (pH 4.5-6) 2.41 8.05 -12.43 1 7 0 86 375.384 3

Activity (Go SEA)

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