UCSF

ZINC09464311

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 2.80 -6.33 -18.06 3 7 0 104 435.505 7
Hi High (pH 8-9.5) 2.80 -5.91 -52.93 2 7 -1 106 434.497 7

Activity (Go SEA)

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