UCSF

ZINC45805788

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 1.05 2.16 -38.93 3 6 1 86 255.342 8
Hi High (pH 8-9.5) 1.05 -0.3 -8.1 2 6 0 85 254.334 8

Activity (Go SEA)

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