UCSF

ZINC36777142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.01 5 -117.85 4 3 2 45 223.364 6
Mid Mid (pH 6-8) 1.01 3.94 -91.4 4 3 2 45 223.364 6
Mid Mid (pH 6-8) 1.01 3.26 -40.19 3 3 1 44 222.356 6

Activity (Go SEA)

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