UCSF

ZINC13119547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 Yes

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) 2.92 7.76 -7.31 1 3 0 42 298.43 3
Lo Low (pH 4.5-6) 2.92 8.22 -41.4 2 3 1 43 299.438 3

Activity (Go SEA)

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