UCSF

ZINC32760745

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 22 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) 2.06 6.5 -47.19 2 5 1 54 345.25 4
Hi High (pH 8-9.5) 2.06 4.29 -11.14 1 5 0 53 344.242 4

Activity (Go SEA)

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