UCSF

ZINC31956467

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 30 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) 4.08 11.31 -32.7 1 6 0 78 428.485 8
Hi High (pH 8-9.5) 4.27 10.23 -53.51 0 6 -1 84 427.477 8

Activity (Go SEA)

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