UCSF

ZINC40496492

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 No

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) -2.11 -5.09 -149.81 3 13 -2 195 376.218 5
Hi High (pH 8-9.5) -1.65 -7.67 -212.21 2 13 -3 198 375.21 5
Mid Mid (pH 6-8) -2.11 -6.25 -58.92 4 13 -1 192 377.226 5

Activity (Go SEA)

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