UCSF

ZINC19864223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 No

CAS Number:

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) 1.47 3.02 -123.71 1 8 -2 139 366.395 5
Lo Low (pH 4.5-6) 1.47 1.89 -60.91 2 8 -1 136 367.403 5

Activity (Go SEA)

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