UCSF

ZINC20039547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 3.12 8.71 -42.1 2 3 1 37 291.459 4
Hi High (pH 8-9.5) 3.12 7.47 -7.26 1 3 0 32 290.451 4

Activity (Go SEA)

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