UCSF

ZINC22917009

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) 3.41 9.79 -43.28 1 4 1 26 355.502 7
Hi High (pH 8-9.5) 3.41 7.92 -7.21 0 4 0 25 354.494 7
Mid Mid (pH 6-8) 3.41 10.17 -43.06 1 4 1 26 355.502 7

Activity (Go SEA)

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