UCSF

ZINC45696033

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 12 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) -0.01 3.45 -49.08 2 4 0 66 175.228 7
Hi High (pH 8-9.5) -0.01 2.1 -42.75 1 4 -1 61 174.22 7

Activity (Go SEA)

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