UCSF

ZINC70515801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.42 4.88 -50.38 4 4 1 66 276.404 7
Hi High (pH 8-9.5) 2.42 4.66 -9.44 3 4 0 64 275.396 7
Mid Mid (pH 6-8) 2.42 5.17 -83.21 5 4 2 67 277.412 7

Activity (Go SEA)

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