UCSF

ZINC02031741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 33 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) -1.57 3.61 -135.63 4 13 -2 205 453.415 10
Hi High (pH 8-9.5) -1.12 2.49 -174.85 3 13 -3 208 452.407 10
Lo Low (pH 4.5-6) -1.57 2.49 -80.94 5 13 -1 202 454.423 10

Activity (Go SEA)

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