UCSF

ZINC04270395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 Yes

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) 3.34 8.42 -15.09 1 6 0 81 409.442 4
Mid Mid (pH 6-8) 3.34 8.42 -44.63 0 6 -1 83 408.434 4

Activity (Go SEA)

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