UCSF

ZINC01586116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 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) 1.87 -7.28 -19.67 3 8 0 113 383.861 6
Hi High (pH 8-9.5) 1.87 -6.71 -56.59 2 8 -1 115 382.853 6

Activity (Go SEA)

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