UCSF

ZINC06701058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 17 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) 3.30 6.14 -14.28 1 3 0 41 233.311 2
Hi High (pH 8-9.5) 3.30 7.14 -58.7 0 3 -1 43 232.303 2

Activity (Go SEA)

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