UCSF

ZINC13997749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 16 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) -0.07 -1.13 -18.78 4 6 0 101 243.288 4
Hi High (pH 8-9.5) -0.07 -1.07 -43.44 3 6 -1 103 242.28 4

Activity (Go SEA)

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