UCSF

ZINC31161007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 31 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) 1.03 0.65 -54.17 4 10 -1 170 429.357 4
Hi High (pH 8-9.5) 1.03 1.65 -131.85 3 10 -2 173 428.349 4

Activity (Go SEA)

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