UCSF

ZINC37818464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.18 3.86 -42.79 2 5 1 53 277.392 5
Hi High (pH 8-9.5) 0.18 2.64 -10.11 1 5 0 48 276.384 5
Mid Mid (pH 6-8) 0.18 6.07 -105.31 3 5 2 54 278.4 5

Activity (Go SEA)

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