UCSF

ZINC34937029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.55 7.19 -21.12 1 6 0 84 247.254 4
Mid Mid (pH 6-8) 3.01 5.26 -10.91 1 6 0 84 247.254 4

Activity (Go SEA)

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