UCSF

ZINC44693077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.12 6.58 -58.38 1 5 -1 78 284.376 7
Lo Low (pH 4.5-6) 2.12 4.5 -11.36 2 5 0 76 285.384 7

Activity (Go SEA)

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