UCSF

ZINC34874590

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 4.26 9.09 -16.46 3 8 0 100 515.639 9
Mid Mid (pH 6-8) 4.26 11.36 -52.34 4 8 1 101 516.647 9

Activity (Go SEA)

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