UCSF

ZINC06858714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 18 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) 2.10 1.71 -8.6 1 5 0 72 348.609 3
Hi High (pH 8-9.5) 2.10 1.81 -31.04 0 5 -1 74 347.601 3
Lo Low (pH 4.5-6) 2.10 2.01 -43.04 2 5 1 73 349.617 3

Activity (Go SEA)

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