UCSF

ZINC35005684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

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) 3.48 10.44 -66.64 1 7 0 83 515.404 8
Lo Low (pH 4.5-6) 3.48 9.72 -49.11 2 7 1 81 516.412 8

Activity (Go SEA)

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