UCSF

ZINC37014053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.73 4.65 -47.68 4 4 1 60 268.356 5
Hi High (pH 8-9.5) 1.73 4.32 -10.59 3 4 0 58 267.348 5

Activity (Go SEA)

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