UCSF

ZINC70736293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2011 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) 1.55 4.75 -44.56 3 2 1 31 237.392 6
Hi High (pH 8-9.5) 1.55 4.54 -1.94 2 2 0 29 236.384 6
Mid Mid (pH 6-8) 1.55 6.67 -124.56 4 2 2 32 238.4 6
Mid Mid (pH 6-8) 1.55 6.31 -28.23 3 2 1 30 237.392 6

Activity (Go SEA)

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