UCSF

ZINC31476058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 36 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) 5.12 14.91 -54.45 2 9 1 118 492.552 9
Hi High (pH 8-9.5) 5.12 13.48 -18.97 1 9 0 114 491.544 9

Activity (Go SEA)

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