UCSF

ZINC19540049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 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) 2.70 7.14 -43.03 2 4 1 37 348.467 6
Hi High (pH 8-9.5) 2.70 4.91 -10.21 1 4 0 36 347.459 6
Mid Mid (pH 6-8) 2.70 7.4 -38.81 2 4 1 37 348.467 6

Activity (Go SEA)

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