UCSF

ZINC37652242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 3.69 9.22 -36.72 1 3 1 31 264.389 8
Hi High (pH 8-9.5) 3.69 7.42 -6.45 0 3 0 30 263.381 8

Activity (Go SEA)

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