UCSF

ZINC42680870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 21 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) 3.57 8.74 -43.07 1 3 1 25 330.279 5
Mid Mid (pH 6-8) 3.57 8.73 -46.15 1 3 1 25 330.279 5
Lo Low (pH 4.5-6) 3.57 10.98 -116.73 2 3 2 26 331.287 5

Activity (Go SEA)

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