UCSF

ZINC37476877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.56 4.49 -43.51 3 4 1 58 215.28 4
Hi High (pH 8-9.5) 0.56 3.21 -8.18 2 4 0 54 214.272 4

Activity (Go SEA)

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