UCSF

ZINC44509357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.22 4.57 -34.41 0 4 -1 72 237.304 4
Mid Mid (pH 6-8) 2.22 4.07 -12.32 1 4 0 70 238.312 4

Activity (Go SEA)

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