UCSF

ZINC35367862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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) 1.36 5.26 -33.87 3 4 1 47 221.328 2
Hi High (pH 8-9.5) 1.36 3.09 -5.19 2 4 0 45 220.32 2
Mid Mid (pH 6-8) 1.36 5.58 -84.3 4 4 2 48 222.336 2
Mid Mid (pH 6-8) 1.36 3.4 -25.94 3 4 1 47 221.328 2

Activity (Go SEA)

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