UCSF

ZINC34952734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.90 8.66 -16.2 1 6 0 70 509.594 10
Mid Mid (pH 6-8) 4.90 10.98 -63.12 2 6 1 71 510.602 10

Activity (Go SEA)

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