UCSF

ZINC22774283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 3.18 9.64 -41.84 2 5 1 44 365.501 9
Hi High (pH 8-9.5) 3.18 7.17 -10.62 1 5 0 42 364.493 9
Mid Mid (pH 6-8) 3.18 8.57 -43.74 2 5 1 47 365.501 9

Activity (Go SEA)

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