UCSF

ZINC45687964

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.01 6.13 -90.23 3 3 2 24 231.428 10
Hi High (pH 8-9.5) 2.01 7.2 -102.12 3 3 2 21 231.428 10
Hi High (pH 8-9.5) 2.01 3.64 -34.7 2 3 1 23 230.42 10
Mid Mid (pH 6-8) 2.01 5.73 -102.63 3 3 2 24 231.428 10

Activity (Go SEA)

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