UCSF

ZINC21262710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 3.53 13.56 -33.25 1 6 1 50 401.538 4
Mid Mid (pH 6-8) 3.53 13.25 -9 0 6 0 48 400.53 4
Lo Low (pH 4.5-6) 3.53 13.91 -79.58 2 6 2 51 402.546 4

Activity (Go SEA)

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