UCSF

ZINC52138959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 18 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) 2.56 8.23 -49.06 3 1 1 28 309.202 3
Hi High (pH 8-9.5) 2.56 7.94 -3.86 2 1 0 26 308.194 3

Activity (Go SEA)

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