UCSF

ZINC42864218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 2.14 4.21 -40.97 3 2 1 31 211.373 2
Mid Mid (pH 6-8) 2.14 5.83 -33.85 3 2 1 30 211.373 2
Lo Low (pH 4.5-6) 2.14 6.15 -107.15 4 2 2 32 212.381 2

Activity (Go SEA)

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