UCSF

ZINC37295083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 2.93 5.57 -7.32 2 4 0 57 284.157 2
Mid Mid (pH 6-8) 2.93 5.68 -25.46 3 4 1 58 285.165 2

Activity (Go SEA)

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