UCSF

ZINC39251894

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.85 2 -8.04 2 4 0 67 196.202 3
Hi High (pH 8-9.5) 2.85 3 -48.96 1 4 -1 70 195.194 3

Activity (Go SEA)

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