UCSF

ZINC37825150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.38 3.58 -93.7 4 4 2 52 203.33 6
Mid Mid (pH 6-8) -0.38 3.13 -38.21 3 4 1 51 202.322 6

Activity (Go SEA)

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