UCSF

ZINC43284520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 1.77 1.55 -44.56 4 4 1 60 333.275 4
Hi High (pH 8-9.5) 1.77 1.2 -6.52 3 4 0 58 332.267 4
Mid Mid (pH 6-8) 1.77 3.27 -43.87 4 4 1 60 333.275 4
Mid Mid (pH 6-8) 1.77 3.59 -127.27 5 4 2 61 334.283 4

Activity (Go SEA)

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