UCSF

ZINC30027929

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 26 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) 1.40 5.55 -20.83 1 7 0 76 378.498 6
Mid Mid (pH 6-8) 1.40 7.55 -57.09 2 7 1 78 379.506 6

Activity (Go SEA)

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