UCSF

ZINC02702301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.85 -1.46 -25.38 2 6 0 84 341.392 4
Ref Reference (pH 7) 2.85 5.87 -50.04 1 6 -1 86 340.384 4

Activity (Go SEA)

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