UCSF

ZINC33121232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 33 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) 4.14 7.9 -49.93 4 7 1 95 473.663 8
Hi High (pH 8-9.5) 4.14 7.97 -64.27 3 7 0 97 472.655 8
Hi High (pH 8-9.5) 4.14 6.49 -15.71 3 7 0 91 472.655 8

Activity (Go SEA)

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