UCSF

ZINC22932423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 1.60 5.17 -40.47 3 6 1 66 367.42 6
Hi High (pH 8-9.5) 1.60 5.15 -43.3 3 6 1 66 367.42 6
Mid Mid (pH 6-8) 1.60 2.82 -9.87 2 6 0 65 366.412 6

Activity (Go SEA)

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