UCSF

ZINC37045384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.28 2.4 -55.15 4 6 1 88 282.364 7
Mid Mid (pH 6-8) 0.28 2.07 -13.38 3 6 0 86 281.356 7

Activity (Go SEA)

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