UCSF

ZINC17045585

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 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) 3.90 8.12 -18.59 1 5 0 64 325.393 5
Mid Mid (pH 6-8) 3.96 7.22 -48.91 0 5 -1 70 324.385 5

Activity (Go SEA)

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