UCSF

ZINC34994485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.59 9.43 -60.92 2 4 1 62 322.182 5
Mid Mid (pH 6-8) 3.59 8.06 -9.07 1 4 0 58 321.174 5

Activity (Go SEA)

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