UCSF

ZINC69343729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 29 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) 3.10 5.91 -52.85 3 6 1 80 430.472 9
Mid Mid (pH 6-8) 3.10 3.38 -15.76 2 6 0 79 429.464 9

Activity (Go SEA)

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