UCSF

ZINC23359947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.18 8.86 -88.19 3 4 2 32 375.601 6
Mid Mid (pH 6-8) 3.18 6.59 -34.27 2 4 1 31 374.593 6

Activity (Go SEA)

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