UCSF

ZINC34969927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 4.27 7.4 -14.01 1 7 0 79 485.65 10
Mid Mid (pH 6-8) 4.27 9.89 -58.82 2 7 1 80 486.658 10

Activity (Go SEA)

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