UCSF

ZINC02560101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 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) 3.12 7.84 -8.57 0 3 0 33 298.773 2
Lo Low (pH 4.5-6) 3.12 8.66 -32.03 1 3 1 34 299.781 2

Activity (Go SEA)

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