UCSF

ZINC42277595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 1.19 6.63 -61.56 1 4 0 48 240.347 4
Mid Mid (pH 6-8) 1.19 8.88 -96.69 2 4 1 49 241.355 4
Mid Mid (pH 6-8) 1.19 6.69 -43.43 1 4 0 48 240.347 4

Activity (Go SEA)

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