UCSF

ZINC36170540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.42 4.29 -42.75 4 5 1 63 291.419 5
Hi High (pH 8-9.5) 1.42 2.05 -8.84 3 5 0 62 290.411 5

Activity (Go SEA)

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