UCSF

ZINC33742232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 28 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) 7.03 13.94 -18.7 1 4 0 51 394.54 8
Hi High (pH 8-9.5) 6.55 13.03 -52.63 0 4 -1 58 393.532 8

Activity (Go SEA)

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