UCSF

ZINC00269991

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 1.84 -3.41 -15.83 1 6 0 77 294.332 5
Hi High (pH 8-9.5) 1.84 -2.84 -52.31 0 6 -1 79 293.324 5

Activity (Go SEA)

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