UCSF

ZINC34984498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.90 9.67 -33.46 2 3 1 43 306.776 2
Mid Mid (pH 6-8) 4.90 9.27 -9.42 1 3 0 42 305.768 2
Lo Low (pH 4.5-6) 4.90 9.72 -37.56 2 3 1 43 306.776 2

Activity (Go SEA)

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