UCSF

ZINC44681920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) -1.75 3.86 -64.92 4 8 0 120 284.316 8
Mid Mid (pH 6-8) -1.75 3.41 -53.46 3 8 -1 119 283.308 8

Activity (Go SEA)

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