UCSF

ZINC70066661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 15 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) 1.77 5.93 -42.31 2 3 1 44 210.345 7
Lo Low (pH 4.5-6) 1.77 7.43 -105.15 3 3 2 45 211.353 7

Activity (Go SEA)

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