UCSF

ZINC23336414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 35 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) 3.69 10.63 -21.22 1 8 0 78 473.577 7
Lo Low (pH 4.5-6) 3.69 10.93 -48.25 2 8 1 79 474.585 7

Activity (Go SEA)

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