UCSF

ZINC02918883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 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) 4.22 10.84 -14.22 0 5 0 52 380.807 4
Mid Mid (pH 6-8) 4.22 12.41 -48.91 2 5 1 56 381.815 4

Activity (Go SEA)

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