UCSF

ZINC52045266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 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) 3.36 8.46 -53.15 3 5 1 63 400.465 7
Hi High (pH 8-9.5) 3.54 6.75 -37.74 2 5 0 69 399.457 7
Hi High (pH 8-9.5) 3.36 6.28 -12.76 2 5 0 61 399.457 7

Activity (Go SEA)

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