UCSF

ZINC19784773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 14 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) 1.16 3.64 -31.57 2 3 1 34 196.27 4
Hi High (pH 8-9.5) 1.16 1.02 -5.74 1 3 0 33 195.262 4

Activity (Go SEA)

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