UCSF

ZINC20418062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 No

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) 4.18 13.4 -12.52 1 3 0 28 381.932 7
Lo Low (pH 4.5-6) 4.18 13.85 -53.63 2 3 1 29 382.94 7

Activity (Go SEA)

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