UCSF

ZINC34874643

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 38 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) 4.30 9.58 -14.27 3 8 0 100 535.714 10
Mid Mid (pH 6-8) 4.30 11.85 -50.39 4 8 1 101 536.722 10

Activity (Go SEA)

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