UCSF

ZINC34660763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 2.13 6.19 -38.41 3 4 1 55 283.779 7
Hi High (pH 8-9.5) 2.13 4.72 -11.13 2 4 0 50 282.771 7

Activity (Go SEA)

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