UCSF

ZINC26509481

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 22 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) 2.07 3.96 -45.31 4 4 1 64 303.426 8
Hi High (pH 8-9.5) 2.07 3.26 -3.81 3 4 0 63 302.418 8
Mid Mid (pH 6-8) 2.07 6.01 -32.72 4 4 1 64 303.426 8

Activity (Go SEA)

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