UCSF

ZINC25521720

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 1.28 2.17 -23.66 3 7 0 100 309.329 5
Hi High (pH 8-9.5) 1.28 2.04 -50.17 2 7 -1 98 308.321 5

Activity (Go SEA)

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