UCSF

ZINC20272092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 27 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) 2.37 7.86 -47.68 1 6 1 52 367.473 4
Hi High (pH 8-9.5) 2.37 7.53 -16.25 0 6 0 51 366.465 4

Activity (Go SEA)

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