UCSF

ZINC37795975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.62 3.2 -57.92 2 7 -1 115 263.229 5
Mid Mid (pH 6-8) 1.08 0.55 -115.04 1 7 -2 118 262.221 5

Activity (Go SEA)

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