UCSF

ZINC26576458

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 26 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) -0.18 4.12 -54.63 5 7 1 112 400.546 11
Hi High (pH 8-9.5) -0.18 3.79 -20.21 4 7 0 111 399.538 11
Hi High (pH 8-9.5) -0.18 4.59 -41.48 5 7 0 112 399.538 11

Activity (Go SEA)

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