UCSF

ZINC06557330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.71 7.72 -20.35 1 4 0 50 269.279 1
Ref Reference (pH 7) 2.71 7.5 -14.93 1 4 0 50 269.279 1
Hi High (pH 8-9.5) 3.17 6.31 -49.82 0 4 -1 53 268.271 1
Lo Low (pH 4.5-6) 2.71 7.91 -39.36 2 4 1 51 270.287 1

Activity (Go SEA)

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