UCSF

ZINC07950278

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 20 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) 4.10 8.48 -7.22 1 3 0 32 274.408 4
Mid Mid (pH 6-8) 4.10 9.1 -32.6 2 3 1 34 275.416 4

Activity (Go SEA)

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