UCSF

ZINC45653640

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 4.39 8.17 -37.17 2 2 1 20 275.46 5
Hi High (pH 8-9.5) 4.39 7.25 -1.14 1 2 0 15 274.452 5
Mid Mid (pH 6-8) 4.39 9.58 -30.9 2 2 1 16 275.46 5

Activity (Go SEA)

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