UCSF

ZINC39364301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 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) 2.32 4.99 -30.61 2 4 1 37 307.458 7
Hi High (pH 8-9.5) 2.32 2.88 -5.13 1 4 0 36 306.45 7
Mid Mid (pH 6-8) 2.32 5.15 -33.92 2 4 1 37 307.458 7

Activity (Go SEA)

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