UCSF

ZINC45630507

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.46 7.34 -111.7 3 3 2 36 207.321 4
Hi High (pH 8-9.5) 1.46 5.58 -7.52 1 3 0 30 205.305 4
Mid Mid (pH 6-8) 1.46 6.88 -44.78 2 3 1 34 206.313 4

Activity (Go SEA)

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