UCSF

ZINC44410723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 14 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) 1.52 3.18 -43.12 4 2 1 40 211.354 6
Mid Mid (pH 6-8) 1.52 4.36 -108.63 5 2 2 44 212.362 6

Activity (Go SEA)

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