UCSF

ZINC70513195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.23 6.1 -28.21 3 3 1 37 279.448 9
Lo Low (pH 4.5-6) 3.23 7.28 -100.06 4 3 2 41 280.456 9

Activity (Go SEA)

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