UCSF

ZINC40636553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 18 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) 0.31 1.43 -38.33 3 5 1 66 257.354 5
Mid Mid (pH 6-8) 0.31 0.04 -10.73 2 5 0 62 256.346 5

Activity (Go SEA)

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