UCSF

ZINC53292810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 13 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) 0.07 0.28 -46.69 4 4 1 62 182.247 5
Hi High (pH 8-9.5) 0.07 -0.12 -6.19 3 4 0 60 181.239 5
Mid Mid (pH 6-8) 0.07 0.75 -100.46 5 4 2 63 183.255 5

Activity (Go SEA)

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