UCSF

ZINC44424299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 0.61 7.02 -49.13 2 5 1 53 276.36 9
Hi High (pH 8-9.5) 0.61 5.66 -8.51 1 5 0 48 275.352 9
Mid Mid (pH 6-8) 0.61 7.53 -86.84 3 5 2 54 277.368 9

Activity (Go SEA)

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