UCSF

ZINC42372544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) 0.80 0.42 -98.38 6 4 2 73 213.325 3
Hi High (pH 8-9.5) 0.80 -1.17 -9.56 4 4 0 67 211.309 3
Mid Mid (pH 6-8) 0.80 -0.79 -51.17 5 4 1 69 212.317 3

Activity (Go SEA)

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