UCSF

ZINC16701624

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 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) 3.77 5.08 -19.46 1 7 0 101 476.498 5
Hi High (pH 8-9.5) 3.77 5.17 -50.17 0 7 -1 103 475.49 5

Activity (Go SEA)

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