UCSF

ZINC34677285

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 25 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) 1.25 1.02 -44.04 3 7 1 83 351.471 10
Mid Mid (pH 6-8) 1.25 -1.26 -8.16 2 7 0 82 350.463 10
Lo Low (pH 4.5-6) 1.25 1.05 -43.24 3 7 1 83 351.471 10

Activity (Go SEA)

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