UCSF

ZINC33712457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 5.21 12.9 -21.22 1 5 0 62 433.577 7
Hi High (pH 8-9.5) 5.03 11.83 -43.49 0 5 -1 69 432.569 7

Activity (Go SEA)

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