UCSF

ZINC42897426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.07 9.86 -56.26 0 5 -1 67 281.291 5
Mid Mid (pH 6-8) 3.07 10.34 -63.31 1 5 0 68 282.299 5

Activity (Go SEA)

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