UCSF

ZINC31570061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 35 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) 5.14 14.93 -46.39 2 6 1 63 482.689 16
Hi High (pH 8-9.5) 5.14 12.7 -14.47 1 6 0 62 481.681 16

Activity (Go SEA)

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