UCSF

ZINC21792743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 2.83 8.73 -15.32 1 7 0 74 437.569 7
Lo Low (pH 4.5-6) 2.83 11.09 -46.3 2 7 1 76 438.577 7

Activity (Go SEA)

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