UCSF

ZINC37802843

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) 0.51 2.64 -46.66 3 5 1 64 266.365 5
Hi High (pH 8-9.5) 0.51 2.34 -8.67 2 5 0 63 265.357 5
Mid Mid (pH 6-8) 0.51 4.86 -105.31 4 5 2 66 267.373 5

Activity (Go SEA)

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