UCSF

ZINC37086814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.11 9.5 -32.06 2 3 1 29 284.427 7
Lo Low (pH 4.5-6) 3.11 9.69 -74.97 3 3 2 31 285.435 7

Activity (Go SEA)

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