UCSF

ZINC35702165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.00 4.64 -36.57 2 4 1 50 223.296 3
Hi High (pH 8-9.5) 1.00 3.45 -8.52 1 4 0 45 222.288 3

Activity (Go SEA)

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