UCSF

ZINC24002641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 23 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) 2.40 3.55 -11.12 1 5 0 56 335.835 4
Hi High (pH 8-9.5) 2.21 5.87 -15.35 1 5 0 53 335.835 4
Lo Low (pH 4.5-6) 2.21 8.03 -47.99 2 5 1 54 336.843 4

Activity (Go SEA)

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