UCSF

ZINC19802477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 4.23 12.65 -48.3 1 5 1 43 448.008 7
Mid Mid (pH 6-8) 4.23 11.91 -47.08 1 5 1 43 448.008 7
Mid Mid (pH 6-8) 4.23 10.35 -9.75 0 5 0 42 447 7

Activity (Go SEA)

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