UCSF

ZINC42947212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.94 5.89 -46.89 3 2 1 31 323.81 7
Hi High (pH 8-9.5) 3.94 5.61 -2.5 2 2 0 29 322.802 7
Lo Low (pH 4.5-6) 3.94 7.32 -120.3 4 2 2 32 324.818 7

Activity (Go SEA)

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