UCSF

ZINC01751458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 No

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) 2.89 4.59 -31.41 4 4 1 67 237.323 8
Mid Mid (pH 6-8) 2.89 5.61 -17.69 3 4 0 70 236.315 8

Activity (Go SEA)

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