UCSF

ZINC33315036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 28 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) 4.06 9.99 -15.47 2 5 0 61 368.44 2
Lo Low (pH 4.5-6) 4.06 10.43 -45.67 3 5 1 62 369.448 2

Activity (Go SEA)

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