UCSF

ZINC45649888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.88 6.18 -37.43 2 2 1 20 233.379 4
Hi High (pH 8-9.5) 2.88 5.14 -1.4 1 2 0 15 232.371 4
Mid Mid (pH 6-8) 2.88 7.49 -31.83 2 2 1 16 233.379 4

Activity (Go SEA)

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