UCSF

ZINC36677476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 1.05 3.72 -90.11 4 3 2 35 215.385 6
Hi High (pH 8-9.5) 1.05 1.46 -40.92 3 3 1 34 214.377 6
Mid Mid (pH 6-8) 1.05 3.29 -108.67 4 3 2 35 215.385 6

Activity (Go SEA)

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