UCSF

ZINC36076848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.26 3.12 -44.8 3 6 1 80 326.442 7
Hi High (pH 8-9.5) 1.26 1.03 -11.94 2 6 0 79 325.434 7

Activity (Go SEA)

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