UCSF

ZINC04499983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 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) 2.68 3.81 -53.85 2 8 -1 119 370.414 5
Hi High (pH 8-9.5) 2.86 4.07 -43.88 2 8 -1 118 370.414 4
Mid Mid (pH 6-8) 2.68 3.78 -133.15 1 8 -2 117 369.406 5

Activity (Go SEA)

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