UCSF

ZINC11635193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 21 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) 4.81 -6.18 -10.2 1 4 0 59 448.161 3
Hi High (pH 8-9.5) 4.81 -5.6 -42.45 0 4 -1 61 447.153 3

Activity (Go SEA)

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