UCSF

ZINC36327091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 0.41 2.03 -49.87 0 7 -1 83 253.282 5
Mid Mid (pH 6-8) 0.41 4.19 -72.05 1 7 0 85 254.29 5

Activity (Go SEA)

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