UCSF

ZINC01730318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 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) 2.75 1.64 -9.88 3 5 0 87 286.283 1
Hi High (pH 8-9.5) 2.75 2.63 -50.55 2 5 -1 90 285.275 1

Activity (Go SEA)

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