UCSF

ZINC44822719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 12 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) -0.51 0.94 -9.67 1 4 0 56 167.212 1
Mid Mid (pH 6-8) -0.51 2.16 -60.04 2 4 1 61 168.22 1

Activity (Go SEA)

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