UCSF

ZINC37116565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.96 -3.64 -60.78 4 7 0 115 238.247 2
Hi High (pH 8-9.5) -0.96 -4.33 -75.87 4 7 0 115 238.247 2
Mid Mid (pH 6-8) -1.42 -1.79 -53.42 5 7 1 111 239.255 2

Activity (Go SEA)

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