UCSF

ZINC36859188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 4.10 8.75 -32.46 2 2 1 20 275.46 5
Hi High (pH 8-9.5) 4.10 8.27 -1.18 1 2 0 15 274.452 5
Mid Mid (pH 6-8) 4.10 10.94 -109.72 3 2 2 21 276.468 5

Activity (Go SEA)

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