UCSF

ZINC34691486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 1.76 3.13 -14.13 1 8 0 75 449.592 10
Mid Mid (pH 6-8) 1.76 5.37 -43.47 2 8 1 76 450.6 10
Mid Mid (pH 6-8) 1.76 5.45 -46.21 2 8 1 76 450.6 10

Activity (Go SEA)

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