UCSF

ZINC38609578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 37 No

CAS Number: [2185-87-7]

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) 4.91 18.46 -20.65 1 3 1 18 484.667 5
Lo Low (pH 4.5-6) 4.91 19.2 -40.56 2 3 0 19 485.675 5

Activity (Go SEA)

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